(4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-(5-fluoranyl-2-propan-2-yloxy-phenyl)methanone

Systemtic Name: (4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-(5-fluoranyl-2-propan-2-yloxy-phenyl)methanone Openeye Name: (4-amino-2-ethylsulfanyl-pyrimidin-5-yl)-(5-fluoro-2-isopropoxy-phenyl)methanone CAS Name: [4-amino-2-(ethylthio)-5-pyrimidinyl]-(5-fluoro-2-propan-2-yloxyphenyl)methanone IUPAC Name: (4-amino-2-ethylsulfanylpyrimidin-5-yl)-(5-fluoro-2-propan-2-yloxyphenyl)methanone Traditional Name: [4-amino-2-(ethylthio)pyrimidin-5-yl]-(5-fluoro-2-isopropoxy-phenyl)methanone Formula: C16H18FN3O2S MolecularWeight: 335.396423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN3O2S/c1-4-23-16-19-8-12(15(18)20-16)14(21)11-7-10(17)5-6-13(11)22-9(2)3/h5-9H,4H2,1-3H3,(H2,18,19,20)