Nucleosides & Nucleotides

Cas#: 141302-36-5        Compound CID:  4128158

Formula:  C₉H₁₃BrN₄        Molecular Weight: 257.1

IUPAC Name: 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine

SMILES: CN1CCN(CC1)C2=NC=C(C=N2)Br

InChIKey: PRYPBGVWKANVLV-UHFFFAOYSA-N

InChI: InChI=1S/C9H13BrN4/c1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3

Cas#: 50-91-9        Compound CID:  5790

Formula:  C₉H₁₁FN₂O₅        Molecular Weight: 246.19

IUPAC Name: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O

InChIKey: ODKNJVUHOIMIIZ-RRKCRQDMSA-N

InChI: InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1

Cas#: 2341-22-2        Compound CID:  16861

Formula:  C₉H₁₂FN₃O₅        Molecular Weight: 261.21

IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one

SMILES: C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F

InChIKey: STRZQWQNZQMHQR-UAKXSSHOSA-N

InChI: InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1

Cas#: 99931-82-5        Compound CID:  2757175

Formula:  C₈H₁₁BrN₄        Molecular Weight: 243.1

IUPAC Name: 5-bromo-2-piperazin-1-ylpyrimidine

SMILES: C1CN(CCN1)C2=NC=C(C=N2)Br

InChIKey: YHWLBBPOKRHVAR-UHFFFAOYSA-N

InChI: InChI=1S/C8H11BrN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2

Cas#: 95058-81-4        Compound CID:  60750

Formula:  C₉H₁₁F₂N₃O₄        Molecular Weight: 263.2

IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F

InChIKey: SDUQYLNIPVEERB-QPPQHZFASA-N

InChI: InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1

Cas#: 4212-49-1        Compound CID:  73267

Formula:  C₆H₈N₂O₂        Molecular Weight: 140.14

IUPAC Name: 5-ethyl-1H-pyrimidine-2,4-dione

SMILES: CCC1=CNC(=O)NC1=O

InChIKey: RHIULBJJKFDJPR-UHFFFAOYSA-N

InChI: InChI=1S/C6H8N2O2/c1-2-4-3-7-6(10)8-5(4)9/h3H,2H2,1H3,(H2,7,8,9,10)

Cas#: 69075-47-4        Compound CID:  15036533

Formula:  C₁₁H₁₃N₃O₄        Molecular Weight: 251.24

IUPAC Name: 4-amino-5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

SMILES: C#CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O

InChIKey: HMJSYXIPNSASJY-DJLDLDEBSA-N

InChI: InChI=1S/C11H13N3O4/c1-2-6-4-14(11(17)13-10(6)12)9-3-7(16)8(5-15)18-9/h1,4,7-9,15-16H,3,5H2,(H2,12,13,17)/t7-,8+,9+/m0/s1

Cas#: 122111-03-9        Compound CID:  60749

Formula:  C₉H₁₁F₂N₃O₄·HCl        Molecular Weight: 299.66

IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride

SMILES: Cl.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F

InChIKey: OKKDEIYWILRZIA-OSZBKLCCSA-N

InChI: InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7-;/m1./s1

Cas#: 58366-64-6        Compound CID:  94029

Formula:  C₅H₇N₃O·HCl        Molecular Weight: 161.59

IUPAC Name: 6-amino-5-methyl-1H-pyrimidin-2-one;hydrochloride

SMILES: CC1=C(NC(=O)N=C1)N.Cl

InChIKey: ANWMULVRPAUPJT-UHFFFAOYSA-N

InChI: InChI=1S/C5H7N3O.ClH/c1-3-2-7-5(9)8-4(3)6;/h2H,1H3,(H3,6,7,8,9);1H

Cas#: 3768-18-1        Compound CID:  107461

Formula:  C₁₁H₁₅N₃O₆        Molecular Weight: 285.25

IUPAC Name: N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

SMILES: CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O

InChIKey: NIDVTARKFBZMOT-PEBGCTIMSA-N

InChI: InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1

Cas#: 57500-07-9        Compound CID:  853677

Formula:  C₁₂H₁₀N₄O        Molecular Weight: 226.24

IUPAC Name: 6-phenylmethoxy-7H-purine

SMILES: C1=CC=C(C=C1)COC2=NC=NC3=C2NC=N3

InChIKey: ZZZXGPGVDJDFCJ-UHFFFAOYSA-N

InChI: InChI=1S/C12H10N4O/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)

Cas#: 5987-76-8        Compound CID:  482588

Formula:  C₁₆H₁₆ClIN₄O₇        Molecular Weight: 538.68

IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate

SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)I)OC(=O)C)OC(=O)C

InChIKey: BYOJIJDSBSWKKE-SDBHATRESA-N

InChI: InChI=1S/C16H16ClIN4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11-,12-,15-/m1/s1