5,6-dimethyl-2-[[1-oxidanylidene-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[1-oxidanylidene-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[1-methyl-2-oxo-2-[2-(3-thienyl)pyrrolidin-1-yl]ethyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[1-oxo-1-[2-(3-thiophenyl)-1-pyrrolidinyl]propan-2-yl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[1-oxo-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-keto-1-methyl-2-[2-(3-thienyl)pyrrolidino]ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H23N3O2S3 MolecularWeight: 433.61052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCCC3C4=CSC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCCC3C4=CSC=C4)C

InChI

InChI=1S/C20H23N3O2S3/c1-11-12(2)28-19-17(11)18(24)21-16(22-19)10-27-13(3)20(25)23-7-4-5-15(23)14-6-8-26-9-14/h6,8-9,13,15H,4-5,7,10H2,1-3H3,(H,21,22,24)