N4-ethyl-N4-(3-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-ethyl-N4-(m-tolyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C22H27N7 MolecularWeight: 389.49668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H27N7/c1-3-29(18-8-6-7-17(2)15-18)22-20(23)21(25-16-26-22)28-13-11-27(12-14-28)19-9-4-5-10-24-19/h4-10,15-16H,3,11-14,23H2,1-2H3