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

Systemtic Name: N4-cyclohexyl-N6-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-5-nitro-N6-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-N6-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cyclohexyl-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2/c1-12-7-5-6-10-14(12)21-17-15(22(23)24)16(18-11-19-17)20-13-8-3-2-4-9-13/h5-7,10-11,13H,2-4,8-9H2,1H3,(H2,18,19,20,21)