N2-(3-chlorophenyl)-N4-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine

Systemtic Name: N2-(3-chlorophenyl)-N4-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine Openeye Name: N2-(3-chlorophenyl)-N4-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine CAS Name: N2-(3-chlorophenyl)-N4-[3-(4-methyl-1-piperazinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-chlorophenyl)-4-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine Traditional Name: [2-(3-chloroanilino)pyrimidin-4-yl]-[3-(4-methylpiperazino)propyl]amine Formula: C18H25ClN6 MolecularWeight: 360.8843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1CCN(CC1)CCCNC2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H25ClN6/c1-24-10-12-25(13-11-24)9-3-7-20-17-6-8-21-18(23-17)22-16-5-2-4-15(19)14-16/h2,4-6,8,14H,3,7,9-13H2,1H3,(H2,20,21,22,23)