N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-[3-(4-pyridyl)propyl]pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-methyl-5-nitro-4-N-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-[3-(4-pyridyl)propyl]amine Formula: C19H19ClN6O2 MolecularWeight: 398.84616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=NC=C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CCCC1=CC=NC=C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN6O2/c1-25(12-2-3-14-8-10-21-11-9-14)18-17(26(27)28)13-22-19(24-18)23-16-6-4-15(20)5-7-16/h4-11,13H,2-3,12H2,1H3,(H,22,23,24)