methyl (2R)-2-(6-azanyl-4-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-5-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: methyl (2R)-2-(6-azanyl-4-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-5-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: methyl (2R)-2-(6-amino-4-oxo-1-phenyl-2-thioxo-pyrimidin-5-yl)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: (2R)-2-(6-amino-4-oxo-1-phenyl-2-sulfanylidene-5-pyrimidinyl)-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2R)-2-(6-amino-4-oxo-1-phenyl-2-sulfanylidenepyrimidin-5-yl)-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: (2R)-2-(6-amino-4-keto-1-phenyl-2-thioxo-pyrimidin-5-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester Formula: C14H12F3N3O4S MolecularWeight: 375.32299

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(N(C(=S)NC1=O)C2=CC=CC=C2)N)(C(F)(F)F)O

Isomeric SMILES

COC(=O)[C@](C1=C(N(C(=S)NC1=O)C2=CC=CC=C2)N)(C(F)(F)F)O

InChI

InChI=1S/C14H12F3N3O4S/c1-24-11(22)13(23,14(15,16)17)8-9(18)20(12(25)19-10(8)21)7-5-3-2-4-6-7/h2-6,23H,18H2,1H3,(H,19,21,25)/t13-/m1/s1