[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-(hydroxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-2-methylol-tetrahydrofuran-2-yl]methyl ester Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)(CO)COC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)(CO)COC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C18H19N5O6/c19-17-21-14-13(15(26)22-17)20-9-23(14)12-6-11(25)18(7-24,29-12)8-28-16(27)10-4-2-1-3-5-10/h1-5,9,11-12,24-25H,6-8H2,(H3,19,21,22,26)