2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxy]ethyl benzoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxy]ethyl benzoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)oxy]ethyl benzoate CAS Name: benzoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)oxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)oxy]ethyl benzoate Traditional Name: benzoic acid 2-[(2-amino-6-keto-3H-purin-9-yl)oxy]ethyl ester Formula: C14H13N5O4 MolecularWeight: 315.28412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCON2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCON2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C14H13N5O4/c15-14-17-11-10(12(20)18-14)16-8-19(11)23-7-6-22-13(21)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,15,17,18,20)