2-[4-(3-chlorophenyl)piperazin-1-yl]-N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(3-benzyloxyphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N4,N4-dimethyl-pyrimidine-4,6-diamine CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(3-benzoxyanilino)-2-[4-(3-chlorophenyl)piperazino]pyrimidin-4-yl]-dimethyl-amine Formula: C29H31ClN6O MolecularWeight: 515.04904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)NC2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)NC2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H31ClN6O/c1-34(2)28-20-27(31-24-11-7-13-26(19-24)37-21-22-8-4-3-5-9-22)32-29(33-28)36-16-14-35(15-17-36)25-12-6-10-23(30)18-25/h3-13,18-20H,14-17,21H2,1-2H3,(H,31,32,33)