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

Systemtic Name: N2-[3-(3-nitrophenyl)phenyl]-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(3-nitrophenyl)phenyl]-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-[3-(3-nitrophenyl)phenyl]-N4-[3-(1-piperazinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(3-nitrophenyl)phenyl]-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(3-nitrophenyl)anilino]pyrimidin-4-yl]-(3-piperazinopropyl)amine Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O2/c31-30(32)21-7-2-5-19(17-21)18-4-1-6-20(16-18)27-23-26-10-8-22(28-23)25-9-3-13-29-14-11-24-12-15-29/h1-2,4-8,10,16-17,24H,3,9,11-15H2,(H2,25,26,27,28)