6-(4-methylphenyl)sulfanyl-5-nitro-N-pyridin-3-yl-pyrimidin-4-amine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-pyridin-3-yl-pyrimidin-4-amine Openeye Name: 5-nitro-6-(p-tolylsulfanyl)-N-(3-pyridyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-(3-pyridinyl)-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-pyridin-3-ylpyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-(3-pyridyl)amine Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O2S/c1-11-4-6-13(7-5-11)24-16-14(21(22)23)15(18-10-19-16)20-12-3-2-8-17-9-12/h2-10H,1H3,(H,18,19,20)