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

Systemtic Name: N4-(3-piperazin-1-ylpropyl)-N2-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(3-piperazin-1-ylpropyl)-N2-[3-(4-pyridyl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-[3-(1-piperazinyl)propyl]-N2-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-piperazin-1-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine Traditional Name: 3-piperazinopropyl-[2-[3-(4-pyridyl)anilino]pyrimidin-4-yl]amine Formula: C22H27N7 MolecularWeight: 389.49668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7/c1-3-19(18-5-9-23-10-6-18)17-20(4-1)27-22-26-11-7-21(28-22)25-8-2-14-29-15-12-24-13-16-29/h1,3-7,9-11,17,24H,2,8,12-16H2,(H2,25,26,27,28)