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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(2-phenylethanoylamino)benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-[(2-phenylacetyl)amino]benzoate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]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-[(2-phenylacetyl)amino]benzoate Traditional Name: 2-[(2-phenylacetyl)amino]benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O5/c1-28-16-26-22-21(28)23(32)30(25(34)29(22)2)13-8-14-35-24(33)18-11-6-7-12-19(18)27-20(31)15-17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,27,31)