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

Systemtic Name: N6-methyl-N4-(4-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-methyl-5-nitro-N4-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N6-methyl-N4-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-methyl-4-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: methyl-[5-nitro-6-(p-toluidino)pyrimidin-4-yl]amine Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O2/c1-8-3-5-9(6-4-8)16-12-10(17(18)19)11(13-2)14-7-15-12/h3-7H,1-2H3,(H2,13,14,15,16)