6-azanyl-5-[2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanylethanoyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanylethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C16H15ClF3N3O3S MolecularWeight: 421.82181

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC(=C(C=C2)Cl)C(F)(F)F)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC(=C(C=C2)Cl)C(F)(F)F)N

InChI

InChI=1S/C16H15ClF3N3O3S/c1-2-5-23-13(21)12(14(25)22-15(23)26)11(24)7-27-8-3-4-10(17)9(6-8)16(18,19)20/h3-4,6H,2,5,7,21H2,1H3,(H,22,25,26)