3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-phenylbenzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-phenylbenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O4/c1-25-15-24-20-19(25)21(28)27(23(30)26(20)2)13-6-14-31-22(29)18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12,15H,6,13-14H2,1-2H3