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

Systemtic Name: N2-(4-chlorophenyl)-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[3-(1-piperazinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)pyrimidin-4-yl]-(3-piperazinopropyl)amine Formula: C17H23ClN6 MolecularWeight: 346.85772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN6/c18-14-2-4-15(5-3-14)22-17-21-8-6-16(23-17)20-7-1-11-24-12-9-19-10-13-24/h2-6,8,19H,1,7,9-13H2,(H2,20,21,22,23)