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

Systemtic Name: 7-ethyl-1-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]xanthine Formula: C24H22N6O4 MolecularWeight: 458.46928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CC(=O)NC5=CC=CC=C54

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CC(=O)NC5=CC=CC=C54

InChI

InChI=1S/C24H22N6O4/c1-2-27-15-25-22-21(27)23(33)30(24(34)29(22)12-16-8-4-3-5-9-16)14-20(32)28-13-19(31)26-17-10-6-7-11-18(17)28/h3-11,15H,2,12-14H2,1H3,(H,26,31)