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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl benzoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl benzoate CAS Name: benzoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl benzoate Traditional Name: benzoic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N

InChI

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