6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5-diamine Openeye Name: N4-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-methyl-pyrimidine-4,5-diamine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5-diamine IUPAC Name: 4-N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-methylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(3-chlorophenyl)piperazino]pyrimidin-4-yl]-benzyl-methyl-amine Formula: C22H25ClN6 MolecularWeight: 408.9271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H25ClN6/c1-27(15-17-6-3-2-4-7-17)21-20(24)22(26-16-25-21)29-12-10-28(11-13-29)19-9-5-8-18(23)14-19/h2-9,14,16H,10-13,15,24H2,1H3