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

Systemtic Name: N4-(3-piperazin-1-ylpropyl)-N2-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(3-piperazin-1-ylpropyl)-N2-[2-(2-pyridyl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-[3-(1-piperazinyl)propyl]-N2-[2-(2-pyridinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-piperazin-1-ylpropyl)-2-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine Traditional Name: 3-piperazinopropyl-[2-[2-(2-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=C3C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1)CCCNC2=NC(=NC=C2)NC3=CC=CC=C3C4=CC=CC=N4

InChI

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