7-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl]-8-chloro-1,3-dimethyl-xanthine Formula: C16H12BrClN6O3 MolecularWeight: 451.66188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C16H12BrClN6O3/c1-21-13-12(14(26)22(2)16(21)27)24(15(18)20-13)7-9-5-11(25)23-6-8(17)3-4-10(23)19-9/h3-6H,7H2,1-2H3