2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]ethanamide

Systemtic Name: 2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]ethanamide Openeye Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]acetamide CAS Name: 2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]acetamide IUPAC Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]acetamide Traditional Name: 2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]acetamide Formula: C22H20ClF3N6O4S MolecularWeight: 556.94521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCC(=O)NCCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCC(=O)NCCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N)Cl

InChI

InChI=1S/C22H20ClF3N6O4S/c23-14-3-5-15(6-4-14)31-18(27)11-19(33)30-21(31)37-12-20(34)29-9-1-8-28-16-7-2-13(22(24,25)26)10-17(16)32(35)36/h2-7,10-11,28H,1,8-9,12,27H2,(H,29,34)