N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C17H22ClN5O4 MolecularWeight: 395.84068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C17H22ClN5O4/c1-10(2)5-6-19-16-15(23(24)25)17(21-9-20-16)22-12-7-11(18)13(26-3)8-14(12)27-4/h7-10H,5-6H2,1-4H3,(H2,19,20,21,22)