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

Systemtic Name: 2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C29H24FN3O2S2 MolecularWeight: 529.648163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24FN3O2S2/c1-4-14-32-28(35)26-22(20-10-6-5-7-11-20)16-36-27(26)31-29(32)37-17-25(34)21-15-18(2)33(19(21)3)24-13-9-8-12-23(24)30/h4-13,15-16H,1,14,17H2,2-3H3