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

Systemtic Name: 1-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-[2-(2,5-dimethylphenyl)-2-keto-ethyl]-7-ethyl-xanthine Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3/c1-4-26-15-25-22-21(26)23(30)28(14-20(29)19-12-16(2)10-11-17(19)3)24(31)27(22)13-18-8-6-5-7-9-18/h5-12,15H,4,13-14H2,1-3H3