7-[(3-bromophenyl)methyl]-3-methyl-8-[(4-oxidanylidene-1H-quinazolin-2-yl)amino]purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(4-oxidanylidene-1H-quinazolin-2-yl)amino]purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(4-oxo-1H-quinazolin-2-yl)amino]purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(4-oxo-1H-quinazolin-2-yl)amino]purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(4-oxo-1H-quinazolin-2-yl)amino]purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-[(4-keto-1H-quinazolin-2-yl)amino]-3-methyl-xanthine Formula: C21H16BrN7O3 MolecularWeight: 494.30084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=NC(=O)C4=CC=CC=C4N3)CC5=CC(=CC=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=NC(=O)C4=CC=CC=C4N3)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C21H16BrN7O3/c1-28-16-15(18(31)26-21(28)32)29(10-11-5-4-6-12(22)9-11)20(24-16)27-19-23-14-8-3-2-7-13(14)17(30)25-19/h2-9H,10H2,1H3,(H,26,31,32)(H2,23,24,25,27,30)