N-[2-(cyclohexen-1-yl)ethyl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-[2-(1-cyclohexenyl)ethyl]-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

InChI

InChI=1S/C19H22N4O2S/c1-14-7-9-16(10-8-14)26-19-17(23(24)25)18(21-13-22-19)20-12-11-15-5-3-2-4-6-15/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,20,21,22)