[(Z)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)but-2-enyl] benzoate

Systemtic Name: [(Z)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)but-2-enyl] benzoate Openeye Name: [(Z)-4-(2-amino-6-oxo-3H-purin-9-yl)but-2-enyl] benzoate CAS Name: benzoic acid [(Z)-4-(2-amino-6-oxo-3H-purin-9-yl)but-2-enyl] ester IUPAC Name: [(Z)-4-(2-amino-6-oxo-3H-purin-9-yl)but-2-enyl] benzoate Traditional Name: benzoic acid [(Z)-4-(2-amino-6-keto-3H-purin-9-yl)but-2-enyl] ester Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC=CCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC/C=C\CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H15N5O3/c17-16-19-13-12(14(22)20-16)18-10-21(13)8-4-5-9-24-15(23)11-6-2-1-3-7-11/h1-7,10H,8-9H2,(H3,17,19,20,22)/b5-4-