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

Systemtic Name: 5-(4-fluorophenyl)-2-(3-phenoxypropylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-2-(3-phenoxypropylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-2-[(3-phenoxypropylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-fluorophenyl)-2-(3-phenoxypropylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-2-[(3-phenoxypropylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19FN2O2S2 MolecularWeight: 426.526863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCSCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)OCCCSCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2

InChI

InChI=1S/C22H19FN2O2S2/c23-16-9-7-15(8-10-16)18-13-29-22-20(18)21(26)24-19(25-22)14-28-12-4-11-27-17-5-2-1-3-6-17/h1-3,5-10,13H,4,11-12,14H2,(H,24,25,26)