2-(2-azanylidene-3-methyl-4-pyrimidin-5-yl-benzimidazol-1-yl)-1-(4-bromophenyl)ethanone

Systemtic Name: 2-(2-azanylidene-3-methyl-4-pyrimidin-5-yl-benzimidazol-1-yl)-1-(4-bromophenyl)ethanone Openeye Name: 1-(4-bromophenyl)-2-(2-imino-3-methyl-4-pyrimidin-5-yl-benzimidazol-1-yl)ethanone CAS Name: 1-(4-bromophenyl)-2-[2-imino-3-methyl-4-(5-pyrimidinyl)-1-benzimidazolyl]ethanone IUPAC Name: 1-(4-bromophenyl)-2-(2-imino-3-methyl-4-pyrimidin-5-ylbenzimidazol-1-yl)ethanone Traditional Name: 1-(4-bromophenyl)-2-[2-imino-3-methyl-4-(5-pyrimidyl)benzimidazol-1-yl]ethanone Formula: C20H16BrN5O MolecularWeight: 422.27794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)Br)C4=CN=CN=C4

Isomeric SMILES

CN1C2=C(C=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)Br)C4=CN=CN=C4

InChI

InChI=1S/C20H16BrN5O/c1-25-19-16(14-9-23-12-24-10-14)3-2-4-17(19)26(20(25)22)11-18(27)13-5-7-15(21)8-6-13/h2-10,12,22H,11H2,1H3