N6-(5-chloranyl-2,4-dimethoxy-phenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(5-chloranyl-2,4-dimethoxy-phenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-chloro-2,4-dimethoxy-phenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2,4-dimethoxyphenyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C17H22ClN7O4 MolecularWeight: 423.85408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C17H22ClN7O4/c1-23-4-6-24(7-5-23)22-17-15(25(26)27)16(19-10-20-17)21-12-8-11(18)13(28-2)9-14(12)29-3/h8-10H,4-7H2,1-3H3,(H2,19,20,21,22)