1-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]xanthine Formula: C26H26N6O4 MolecularWeight: 486.52244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4C5=CC=CC=C5NC(=O)C4(C)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4C5=CC=CC=C5NC(=O)C4(C)C

InChI

InChI=1S/C26H26N6O4/c1-4-29-16-27-22-21(29)23(34)31(25(36)30(22)14-17-10-6-5-7-11-17)15-20(33)32-19-13-9-8-12-18(19)28-24(35)26(32,2)3/h5-13,16H,4,14-15H2,1-3H3,(H,28,35)