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

Systemtic Name: N4-(4-methoxyphenyl)-N2-(2-methylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-isobutyl-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-methoxyphenyl)-N2-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-methoxyphenyl)-2-N-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(isobutylamino)-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C15H20N6O3 MolecularWeight: 332.3577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)OC)[N+](=O)[O-])N

Isomeric SMILES

CC(C)CNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)OC)[N+](=O)[O-])N

InChI

InChI=1S/C15H20N6O3/c1-9(2)8-17-15-19-13(16)12(21(22)23)14(20-15)18-10-4-6-11(24-3)7-5-10/h4-7,9H,8H2,1-3H3,(H4,16,17,18,19,20)