2-[2-[(E)-dimethylaminomethylideneamino]-6-oxidanylidene-3H-purin-7-yl]ethyl benzoate

Systemtic Name: 2-[2-[(E)-dimethylaminomethylideneamino]-6-oxidanylidene-3H-purin-7-yl]ethyl benzoate Openeye Name: 2-[2-[(E)-dimethylaminomethyleneamino]-6-oxo-3H-purin-7-yl]ethyl benzoate CAS Name: benzoic acid 2-[2-[(E)-dimethylaminomethylideneamino]-6-oxo-3H-purin-7-yl]ethyl ester IUPAC Name: 2-[2-[(E)-dimethylaminomethylideneamino]-6-oxo-3H-purin-7-yl]ethyl benzoate Traditional Name: benzoic acid 2-[2-[(E)-dimethylaminomethyleneamino]-6-keto-3H-purin-7-yl]ethyl ester Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC1=NC(=O)C2=C(N1)N=CN2CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)/C=N/C1=NC(=O)C2=C(N1)N=CN2CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N6O3/c1-22(2)10-19-17-20-14-13(15(24)21-17)23(11-18-14)8-9-26-16(25)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,21,24)/b19-10+