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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CN1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CN1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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