6-(4-methylphenyl)sulfanyl-N-(3-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-N-(3-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-methyl-2-pyridyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-N-(3-methyl-2-pyridinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-N-(3-methylpyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: (3-methyl-2-pyridyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC=N3)C

InChI

InChI=1S/C17H15N5O2S/c1-11-5-7-13(8-6-11)25-17-14(22(23)24)16(19-10-20-17)21-15-12(2)4-3-9-18-15/h3-10H,1-2H3,(H,18,19,20,21)