N2-[3-(3-chlorophenyl)phenyl]-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(3-chlorophenyl)phenyl]-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(3-chlorophenyl)phenyl]-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-[3-(3-chlorophenyl)phenyl]-N4-[3-(1-piperazinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(3-chlorophenyl)phenyl]-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(3-chlorophenyl)anilino]pyrimidin-4-yl]-(3-piperazinopropyl)amine Formula: C23H27ClN6 MolecularWeight: 422.95368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H27ClN6/c24-20-6-1-4-18(16-20)19-5-2-7-21(17-19)28-23-27-10-8-22(29-23)26-9-3-13-30-14-11-25-12-15-30/h1-2,4-8,10,16-17,25H,3,9,11-15H2,(H2,26,27,28,29)