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

Systemtic Name: N-(2-methylphenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(o-tolyl)-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(2-methylphenyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(2-methylphenyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(phenylthio)pyrimidin-4-yl]-(o-tolyl)amine Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O2S/c1-12-7-5-6-10-14(12)20-16-15(21(22)23)17(19-11-18-16)24-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19,20)