2-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2,6-difluorophenyl)methylsulfanyl]-3-(2-furylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2,6-difluorophenyl)methylthio]-3-(2-furanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2,6-difluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2,6-difluorobenzyl)thio]-3-(2-furfuryl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H18F2N2O2S2 MolecularWeight: 444.517326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CO4)SCC5=C(C=CC=C5F)F

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CO4)SCC5=C(C=CC=C5F)F

InChI

InChI=1S/C22H18F2N2O2S2/c23-16-7-3-8-17(24)15(16)12-29-22-25-20-19(14-6-1-2-9-18(14)30-20)21(27)26(22)11-13-5-4-10-28-13/h3-5,7-8,10H,1-2,6,9,11-12H2