N6-butyl-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-ethyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(butylamino)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C17H23N5O2 MolecularWeight: 329.39682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)N(CC)C2=CC=CC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)N(CC)C2=CC=CC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O2/c1-4-6-10-18-16-15(22(23)24)17(20-12-19-16)21(5-2)14-9-7-8-13(3)11-14/h7-9,11-12H,4-6,10H2,1-3H3,(H,18,19,20)