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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(phenylmethyl)benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-benzylbenzoate CAS Name: 2-(phenylmethyl)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 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O4/c1-26-16-25-21-20(26)22(29)28(24(31)27(21)2)13-8-14-32-23(30)19-12-7-6-11-18(19)15-17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3