2-(2-ethoxyethylsulfanylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(2-ethoxyethylsulfanylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(2-ethoxyethylsulfanylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2-ethoxyethylthio)methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(2-ethoxyethylsulfanylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-ethoxyethylthio)methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H17FN2O2S2 MolecularWeight: 364.457483

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1

Isomeric SMILES

CCOCCSCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1

InChI

InChI=1S/C17H17FN2O2S2/c1-2-22-7-8-23-10-14-19-16(21)15-13(9-24-17(15)20-14)11-3-5-12(18)6-4-11/h3-6,9H,2,7-8,10H2,1H3,(H,19,20,21)