7-ethyl-1-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-keto-2-(2,4,5-trimethylphenyl)ethyl]xanthine Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC(=C(C=C4C)C)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC(=C(C=C4C)C)C

InChI

InChI=1S/C25H26N4O3/c1-5-27-15-26-23-22(27)24(31)29(25(32)28(23)13-19-9-7-6-8-10-19)14-21(30)20-12-17(3)16(2)11-18(20)4/h6-12,15H,5,13-14H2,1-4H3