[3-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-2-oxidanyl-propyl] benzoate

Systemtic Name: [3-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-2-oxidanyl-propyl] benzoate Openeye Name: [3-(2-amino-6-oxo-3H-purin-7-yl)-2-hydroxy-propyl] benzoate CAS Name: benzoic acid [3-(2-amino-6-oxo-3H-purin-7-yl)-2-hydroxypropyl] ester IUPAC Name: [3-(2-amino-6-oxo-3H-purin-7-yl)-2-hydroxypropyl] benzoate Traditional Name: benzoic acid [3-(2-amino-6-keto-3H-purin-7-yl)-2-hydroxy-propyl] ester Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(CN2C=NC3=C2C(=O)N=C(N3)N)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(CN2C=NC3=C2C(=O)N=C(N3)N)O

InChI

InChI=1S/C15H15N5O4/c16-15-18-12-11(13(22)19-15)20(8-17-12)6-10(21)7-24-14(23)9-4-2-1-3-5-9/h1-5,8,10,21H,6-7H2,(H3,16,18,19,22)