8-bromanyl-9-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[(6-chloro-4-keto-1H-quinazolin-2-yl)methyl]-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(N2CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)Br

InChI

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