N4-(2,5-dimethoxyphenyl)-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N2-isopentyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-isoamyl-amine Formula: C17H24N6O4 MolecularWeight: 376.41026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N

Isomeric SMILES

CC(C)CCNC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N

InChI

InChI=1S/C17H24N6O4/c1-10(2)7-8-19-17-21-15(18)14(23(24)25)16(22-17)20-12-9-11(26-3)5-6-13(12)27-4/h5-6,9-10H,7-8H2,1-4H3,(H4,18,19,20,21,22)