5-(4-fluorophenyl)-2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-(4-fluorophenyl)-2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-2-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-fluorophenyl)-2-[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-(4-fluorophenyl)-2-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C29H23F2N3O2S2 MolecularWeight: 547.638626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3CC=C

InChI

InChI=1S/C29H23F2N3O2S2/c1-4-13-33-28(36)26-22(19-9-11-20(30)12-10-19)15-37-27(26)32-29(33)38-16-25(35)21-14-17(2)34(18(21)3)24-8-6-5-7-23(24)31/h4-12,14-15H,1,13,16H2,2-3H3