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

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-phenyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-phenyl-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-phenyl-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-phenyl-amine Formula: C17H14N4O2S MolecularWeight: 338.38366

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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=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C17H14N4O2S/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/h2-11H,1H3,(H,18,19,20)