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

Systemtic Name: 2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H19N3O3S2/c1-11-17(13(3)26)12(2)23-19(11)16(27)10-30-22-24-20(28)18-15(9-29-21(18)25-22)14-7-5-4-6-8-14/h4-9,23H,10H2,1-3H3,(H,24,25,28)