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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=C2C3=CC=C(C=C3)Cl)N)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=C2C3=CC=C(C=C3)Cl)N)N4CCN(CC4)C

InChI

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