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

Systemtic Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H21N3O2S2 MolecularWeight: 423.55104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

InChI

InChI=1S/C22H21N3O2S2/c1-4-25-13(2)10-16(14(25)3)18(26)12-29-22-23-20(27)19-17(11-28-21(19)24-22)15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3,(H,23,24,27)