7-[(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(6-bromo-4-oxo-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(6-bromo-4-oxo-1H-quinazolin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(6-bromo-4-oxo-1H-quinazolin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(6-bromo-4-keto-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H13BrN6O3 MolecularWeight: 417.21682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C16H13BrN6O3/c1-21-13-12(15(25)22(2)16(21)26)23(7-18-13)6-11-19-10-4-3-8(17)5-9(10)14(24)20-11/h3-5,7H,6H2,1-2H3,(H,19,20,24)