N2-(4-chlorophenyl)-N4-ethyl-5-nitro-N4-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-ethyl-5-nitro-N4-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-ethyl-5-nitro-N4-(4-pyridylmethyl)pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-ethyl-5-nitro-N4-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-ethyl-5-nitro-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-ethyl-(4-pyridylmethyl)amine Formula: C18H17ClN6O2 MolecularWeight: 384.81958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC1=CC=NC=C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN6O2/c1-2-24(12-13-7-9-20-10-8-13)17-16(25(26)27)11-21-18(23-17)22-15-5-3-14(19)4-6-15/h3-11H,2,12H2,1H3,(H,21,22,23)