2-[2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-6-methyl-3,5-diphenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-methyl-3,5-diphenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Formula: C33H26FN3O2S2 MolecularWeight: 579.706843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CSC3=NC4=C(C(=C(S4)C)C5=CC=CC=C5)C(=O)N3C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CSC3=NC4=C(C(=C(S4)C)C5=CC=CC=C5)C(=O)N3C6=CC=CC=C6

InChI

InChI=1S/C33H26FN3O2S2/c1-20-17-27(21(2)36(20)26-16-10-13-24(34)18-26)28(38)19-40-33-35-31-30(32(39)37(33)25-14-8-5-9-15-25)29(22(3)41-31)23-11-6-4-7-12-23/h4-18H,19H2,1-3H3