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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3,3-diphenylpropanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4/c1-27-17-26-23-22(27)24(31)29(25(32)28(23)2)14-9-15-33-21(30)16-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20H,9,14-16H2,1-2H3