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

Systemtic Name: 2-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-2-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]thio]-3-ethyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)C3=C(N(C(=C3)C)C(C)C)C)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)C3=C(N(C(=C3)C)C(C)C)C)SC(=C2C)C

InChI

InChI=1S/C21H27N3O2S2/c1-8-23-20(26)18-13(5)15(7)28-19(18)22-21(23)27-10-17(25)16-9-12(4)24(11(2)3)14(16)6/h9,11H,8,10H2,1-7H3