2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide Formula: C14H12F3N5O3S MolecularWeight: 387.33699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)N

InChI

InChI=1S/C14H12F3N5O3S/c1-7-4-11(18)21-13(19-7)26-6-12(23)20-10-3-2-8(22(24)25)5-9(10)14(15,16)17/h2-5H,6H2,1H3,(H,20,23)(H2,18,19,21)