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

Systemtic Name: N2-[3-(3-nitrophenyl)phenyl]-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(3-nitrophenyl)phenyl]-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-[3-(3-nitrophenyl)phenyl]-N4-[3-(1-pyrrolidinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(3-nitrophenyl)phenyl]-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(3-nitrophenyl)anilino]pyrimidin-4-yl]-(3-pyrrolidinopropyl)amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O2/c30-29(31)21-9-4-7-19(17-21)18-6-3-8-20(16-18)26-23-25-12-10-22(27-23)24-11-5-15-28-13-1-2-14-28/h3-4,6-10,12,16-17H,1-2,5,11,13-15H2,(H2,24,25,26,27)