2-(3-bromophenyl)-9-(3,4-dimethylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(3-bromophenyl)-9-(3,4-dimethylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(3-bromophenyl)-9-(3,4-dimethylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(3-bromophenyl)-9-(3,4-dimethylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(3-bromophenyl)-9-(3,4-dimethylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(3-bromophenyl)-9-(3,4-dimethylphenyl)-8-keto-7H-purine-6-carboxamide Formula: C20H16BrN5O2 MolecularWeight: 438.27734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)Br)C

InChI

InChI=1S/C20H16BrN5O2/c1-10-6-7-14(8-11(10)2)26-19-16(24-20(26)28)15(17(22)27)23-18(25-19)12-4-3-5-13(21)9-12/h3-9H,1-2H3,(H2,22,27)(H,24,28)