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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-dimethyl-xanthine Formula: C17H15ClN6O4 MolecularWeight: 402.7918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C17H15ClN6O4/c1-21-14-13(15(27)22(2)17(21)28)24(16(18)20-14)8-12(26)23-7-11(25)19-9-5-3-4-6-10(9)23/h3-6H,7-8H2,1-2H3,(H,19,25)