N2-cyclohexyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-cyclohexyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-cyclohexyl-N4-(m-tolyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-cyclohexyl-N4-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-cyclohexyl-4-N-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3CCCCC3

InChI

InChI=1S/C17H22N6O2/c1-11-6-5-9-13(10-11)19-16-14(23(24)25)15(18)21-17(22-16)20-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H4,18,19,20,21,22)