methyl (3R,4S,5R)-3-(6-aminopurin-9-yl)-4,5-bis(oxidanyl)cyclopentene-1-carboxylate

Systemtic Name: methyl (3R,4S,5R)-3-(6-aminopurin-9-yl)-4,5-bis(oxidanyl)cyclopentene-1-carboxylate Openeye Name: methyl (3R,4S,5R)-3-(6-aminopurin-9-yl)-4,5-dihydroxy-cyclopentene-1-carboxylate CAS Name: (3R,4S,5R)-3-(6-aminopurin-9-yl)-4,5-dihydroxy-1-cyclopentenecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S,5R)-3-(6-aminopurin-9-yl)-4,5-dihydroxycyclopentene-1-carboxylate Traditional Name: (3R,4S,5R)-3-adenin-9-yl-4,5-dihydroxy-cyclopentene-1-carboxylic acid methyl ester Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C(C1O)O)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

COC(=O)C1=C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H13N5O4/c1-21-12(20)5-2-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h2-4,6,8-9,18-19H,1H3,(H2,13,14,15)/t6-,8-,9+/m1/s1