N4-butyl-N6-(5-chloranyl-2-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butyl-N6-(5-chloranyl-2-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-(5-chloro-2-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-(5-chloro-2-methylphenyl)-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C16H20ClN5O2 MolecularWeight: 349.8153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C16H20ClN5O2/c1-4-5-8-21(3)16-14(22(23)24)15(18-10-19-16)20-13-9-12(17)7-6-11(13)2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20)