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

Systemtic Name: N2-[3-(3-nitrophenyl)phenyl]-N4-(3-pyrazolidin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(3-nitrophenyl)phenyl]-N4-(3-pyrazolidin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-[3-(3-nitrophenyl)phenyl]-N4-[3-(1-pyrazolidinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(3-nitrophenyl)phenyl]-4-N-(3-pyrazolidin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(3-nitrophenyl)anilino]pyrimidin-4-yl]-(3-pyrazolidin-1-ylpropyl)amine Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

C1CNN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O2/c30-29(31)20-8-2-6-18(16-20)17-5-1-7-19(15-17)26-22-24-12-9-21(27-22)23-10-3-13-28-14-4-11-25-28/h1-2,5-9,12,15-16,25H,3-4,10-11,13-14H2,(H2,23,24,26,27)