N4-butyl-N6-(5-chloranyl-2,4-dimethoxy-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butyl-N6-(5-chloranyl-2,4-dimethoxy-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-(5-chloro-2,4-dimethoxy-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-(5-chloro-2,4-dimethoxyphenyl)-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H22ClN5O4 MolecularWeight: 395.84068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C17H22ClN5O4/c1-5-6-7-22(2)17-15(23(24)25)16(19-10-20-17)21-12-8-11(18)13(26-3)9-14(12)27-4/h8-10H,5-7H2,1-4H3,(H,19,20,21)