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

Systemtic Name: N4-(2-methoxyphenyl)-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-isopentyl-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2-methoxyphenyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2-methoxyphenyl)-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(isoamylamino)-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine Formula: C16H22N6O3 MolecularWeight: 346.38428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=C(C(=N1)NC2=CC=CC=C2OC)[N+](=O)[O-])N

Isomeric SMILES

CC(C)CCNC1=NC(=C(C(=N1)NC2=CC=CC=C2OC)[N+](=O)[O-])N

InChI

InChI=1S/C16H22N6O3/c1-10(2)8-9-18-16-20-14(17)13(22(23)24)15(21-16)19-11-6-4-5-7-12(11)25-3/h4-7,10H,8-9H2,1-3H3,(H4,17,18,19,20,21)