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

Systemtic Name: N4-(3-chlorophenyl)-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3-chlorophenyl)-N2-isopentyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3-chlorophenyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3-chlorophenyl)-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]-isoamyl-amine Formula: C15H19ClN6O2 MolecularWeight: 350.80336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN6O2/c1-9(2)6-7-18-15-20-13(17)12(22(23)24)14(21-15)19-11-5-3-4-10(16)8-11/h3-5,8-9H,6-7H2,1-2H3,(H4,17,18,19,20,21)