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

Systemtic Name: (4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-[2,6-bis(fluoranyl)phenyl]methanone Openeye Name: (4-amino-2-ethylsulfanyl-pyrimidin-5-yl)-(2,6-difluorophenyl)methanone CAS Name: [4-amino-2-(ethylthio)-5-pyrimidinyl]-(2,6-difluorophenyl)methanone IUPAC Name: (4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2,6-difluorophenyl)methanone Traditional Name: [4-amino-2-(ethylthio)pyrimidin-5-yl]-(2,6-difluorophenyl)methanone Formula: C13H11F2N3OS MolecularWeight: 295.307746

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)N)C(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

CCSC1=NC=C(C(=N1)N)C(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C13H11F2N3OS/c1-2-20-13-17-6-7(12(16)18-13)11(19)10-8(14)4-3-5-9(10)15/h3-6H,2H2,1H3,(H2,16,17,18)