N2-methyl-N4-(4-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-methyl-N4-(4-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-methyl-5-nitro-N4-(p-tolyl)pyrimidine-2,4,6-triamine CAS Name: N2-methyl-N4-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-methyl-4-N-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(methylamino)-5-nitro-pyrimidin-4-yl]-(p-tolyl)amine Formula: C12H14N6O2 MolecularWeight: 274.27856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC

InChI

InChI=1S/C12H14N6O2/c1-7-3-5-8(6-4-7)15-11-9(18(19)20)10(13)16-12(14-2)17-11/h3-6H,1-2H3,(H4,13,14,15,16,17)