N4-methyl-N2-(2-methylphenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-methyl-N2-(2-methylphenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-methyl-5-nitro-N2-(o-tolyl)pyrimidine-2,4-diamine CAS Name: N4-methyl-N2-(2-methylphenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-methyl-2-N-(2-methylphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: methyl-[5-nitro-2-(o-toluidino)pyrimidin-4-yl]amine Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=C(C(=N2)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=C(C(=N2)NC)[N+](=O)[O-]

InChI

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