5-(4-chlorophenyl)-N4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine

Systemtic Name: 5-(4-chlorophenyl)-N4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine Openeye Name: 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-N4-(m-tolyl)pyrimidine-4,6-diamine CAS Name: 5-(4-chlorophenyl)-N4-(3-methylphenyl)-2-(4-methyl-1-piperazinyl)pyrimidine-4,6-diamine IUPAC Name: 5-(4-chlorophenyl)-4-N-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine Traditional Name: [6-amino-5-(4-chlorophenyl)-2-(4-methylpiperazino)pyrimidin-4-yl]-(m-tolyl)amine Formula: C22H25ClN6 MolecularWeight: 408.9271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=C2C3=CC=C(C=C3)Cl)N)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=C2C3=CC=C(C=C3)Cl)N)N4CCN(CC4)C

InChI

InChI=1S/C22H25ClN6/c1-15-4-3-5-18(14-15)25-21-19(16-6-8-17(23)9-7-16)20(24)26-22(27-21)29-12-10-28(2)11-13-29/h3-9,14H,10-13H2,1-2H3,(H3,24,25,26,27)