N-cyclohexyl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclohexyl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclohexyl-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-cyclohexyl-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclohexyl-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: cyclohexyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCC3

InChI

InChI=1S/C17H20N4O2S/c1-12-7-9-14(10-8-12)24-17-15(21(22)23)16(18-11-19-17)20-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19,20)