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

Systemtic Name: N4-(4-chlorophenyl)-N2-(2-methylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-chlorophenyl)-N2-isobutyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-chlorophenyl)-N2-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-chlorophenyl)-2-N-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]-isobutyl-amine Formula: C14H17ClN6O2 MolecularWeight: 336.77678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN6O2/c1-8(2)7-17-14-19-12(16)11(21(22)23)13(20-14)18-10-5-3-9(15)4-6-10/h3-6,8H,7H2,1-2H3,(H4,16,17,18,19,20)