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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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