methyl (2S,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylate

Systemtic Name: methyl (2S,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylate Openeye Name: methyl (2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-carboxylate CAS Name: (2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxolanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylate Traditional Name: (2S,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-carboxylic acid methyl ester Formula: C12H15N5O5 MolecularWeight: 309.278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(OC1CO)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

COC(=O)[C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C12H15N5O5/c1-21-11(20)5-2-7(22-6(5)3-18)17-4-14-8-9(17)15-12(13)16-10(8)19/h4-7,18H,2-3H2,1H3,(H3,13,15,16,19)/t5-,6+,7+/m0/s1