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

Systemtic Name: 3,7-dimethyl-1-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]purine-2,6-dione Traditional Name: 1-[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]-3,7-dimethyl-xanthine Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C17H16N6O4/c1-20-9-18-15-14(20)16(26)23(17(27)21(15)2)8-13(25)22-7-12(24)19-10-5-3-4-6-11(10)22/h3-6,9H,7-8H2,1-2H3,(H,19,24)