(3-bromophenyl)-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-[4-methyl-6-(p-toluidino)pyrimidin-2-yl]piperazino]methanone Formula: C23H24BrN5O MolecularWeight: 466.37356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H24BrN5O/c1-16-6-8-20(9-7-16)26-21-14-17(2)25-23(27-21)29-12-10-28(11-13-29)22(30)18-4-3-5-19(24)15-18/h3-9,14-15H,10-13H2,1-2H3,(H,25,26,27)