[1-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-2-phenyl-ethyl] benzoate

Systemtic Name: [1-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-2-phenyl-ethyl] benzoate Openeye Name: [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-2-phenyl-ethyl] benzoate CAS Name: benzoic acid [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-(hydroxymethyl)-2-oxolanyl]-2-oxo-2-phenylethyl] ester IUPAC Name: [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]-2-oxo-2-phenylethyl] benzoate Traditional Name: benzoic acid [1-[5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-2-methylol-tetrahydrofuran-2-yl]-2-keto-2-phenyl-ethyl] ester Formula: C25H23N5O7 MolecularWeight: 505.47942

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)(CO)C(C(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)(CO)C(C(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C25H23N5O7/c26-24-28-21-18(22(34)29-24)27-13-30(21)17-11-16(32)25(12-31,37-17)20(19(33)14-7-3-1-4-8-14)36-23(35)15-9-5-2-6-10-15/h1-10,13,16-17,20,31-32H,11-12H2,(H3,26,28,29,34)