N-(2-methylphenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2-methylphenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: 5-nitro-N-(o-tolyl)-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(2-methylphenyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2-methylphenyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-(o-tolyl)amine Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C

InChI

InChI=1S/C18H16N4O2S/c1-12-7-9-14(10-8-12)25-18-16(22(23)24)17(19-11-20-18)21-15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,19,20,21)