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

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl]purine-2,6-dione Traditional Name: 8-bromo-9-[(4-keto-8-methyl-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C17H15BrN6O3 MolecularWeight: 431.2434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

InChI

InChI=1S/C17H15BrN6O3/c1-8-5-4-6-9-11(8)19-10(20-13(9)25)7-24-14-12(21-16(24)18)15(26)23(3)17(27)22(14)2/h4-6H,7H2,1-3H3,(H,19,20,25)