N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-(1-piperidin-4-ylethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-(1-piperidin-4-ylethyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-[1-(4-piperidyl)ethyl]pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-[1-(4-piperidinyl)ethyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-methyl-5-nitro-4-N-(1-piperidin-4-ylethyl)pyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-[1-(4-piperidyl)ethyl]amine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCNCC1)N(C)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C1CCNCC1)N(C)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H23ClN6O2/c1-12(13-7-9-20-10-8-13)24(2)17-16(25(26)27)11-21-18(23-17)22-15-5-3-14(19)4-6-15/h3-6,11-13,20H,7-10H2,1-2H3,(H,21,22,23)