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

Systemtic Name: N4-butyl-N4-methyl-N6-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N4-methyl-N6-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N4-methyl-N6-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-4-N-methyl-6-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-methyl-[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2/c1-4-5-9-20(3)16-14(21(22)23)15(17-11-18-16)19-13-8-6-7-12(2)10-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18,19)