3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl benzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl benzoate CAS Name: benzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl benzoate Traditional Name: benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O4/c1-19-11-18-14-13(19)15(22)21(17(24)20(14)2)9-6-10-25-16(23)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3