N-(3-chloranyl-4-fluoranyl-phenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C17H12ClFN4O2S MolecularWeight: 390.819183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClFN4O2S/c1-10-2-5-12(6-3-10)26-17-15(23(24)25)16(20-9-21-17)22-11-4-7-14(19)13(18)8-11/h2-9H,1H3,(H,20,21,22)