N4-(2,5-dimethoxyphenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C17H23N5O4 MolecularWeight: 361.39562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C17H23N5O4/c1-11(2)7-8-18-16-15(22(23)24)17(20-10-19-16)21-13-9-12(25-3)5-6-14(13)26-4/h5-6,9-11H,7-8H2,1-4H3,(H2,18,19,20,21)