N6-butyl-N4-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-5-nitro-N4-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]amine Formula: C15H19N5O2 MolecularWeight: 301.34366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2C

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2C

InChI

InChI=1S/C15H19N5O2/c1-3-4-9-16-14-13(20(21)22)15(18-10-17-14)19-12-8-6-5-7-11(12)2/h5-8,10H,3-4,9H2,1-2H3,(H2,16,17,18,19)