2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C27H23FN4O4S2 MolecularWeight: 550.624323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=C(C=C6)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=C(C=C6)F)OC

InChI

InChI=1S/C27H23FN4O4S2/c1-34-17-11-12-18(20(13-17)35-2)24-29-22(36-31-24)14-37-27-30-25-23(19-5-3-4-6-21(19)38-25)26(33)32(27)16-9-7-15(28)8-10-16/h7-13H,3-6,14H2,1-2H3