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

Systemtic Name: N2-(3-nitrophenyl)-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-(3-nitrophenyl)-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-(3-nitrophenyl)-N4-[3-(1-pyrrolidinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-nitrophenyl)-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-(3-nitroanilino)pyrimidin-4-yl]-(3-pyrrolidinopropyl)amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c24-23(25)15-6-3-5-14(13-15)20-17-19-9-7-16(21-17)18-8-4-12-22-10-1-2-11-22/h3,5-7,9,13H,1-2,4,8,10-12H2,(H2,18,19,20,21)