(4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-[2,3,4-tris(fluoranyl)-6-methoxy-phenyl]methanone

Systemtic Name: (4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-[2,3,4-tris(fluoranyl)-6-methoxy-phenyl]methanone Openeye Name: (4-amino-2-ethylsulfanyl-pyrimidin-5-yl)-(2,3,4-trifluoro-6-methoxy-phenyl)methanone CAS Name: [4-amino-2-(ethylthio)-5-pyrimidinyl]-(2,3,4-trifluoro-6-methoxyphenyl)methanone IUPAC Name: (4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2,3,4-trifluoro-6-methoxyphenyl)methanone Traditional Name: [4-amino-2-(ethylthio)pyrimidin-5-yl]-(2,3,4-trifluoro-6-methoxy-phenyl)methanone Formula: C14H12F3N3O2S MolecularWeight: 343.32419

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)N)C(=O)C2=C(C(=C(C=C2OC)F)F)F

Isomeric SMILES

CCSC1=NC=C(C(=N1)N)C(=O)C2=C(C(=C(C=C2OC)F)F)F

InChI

InChI=1S/C14H12F3N3O2S/c1-3-23-14-19-5-6(13(18)20-14)12(21)9-8(22-2)4-7(15)10(16)11(9)17/h4-5H,3H2,1-2H3,(H2,18,19,20)