N2-(4-chlorophenyl)-N4-[3-(4-methylpiperazin-1-yl)propyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-[3-(4-methylpiperazin-1-yl)propyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-[3-(4-methylpiperazin-1-yl)propyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[3-(4-methyl-1-piperazinyl)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-[3-(4-methylpiperazin-1-yl)propyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-[3-(4-methylpiperazino)propyl]amine Formula: C18H24ClN7O2 MolecularWeight: 405.88186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCN(CC1)CCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H24ClN7O2/c1-24-9-11-25(12-10-24)8-2-7-20-17-16(26(27)28)13-21-18(23-17)22-15-5-3-14(19)4-6-15/h3-6,13H,2,7-12H2,1H3,(H2,20,21,22,23)