3-ethyl-5,6-dimethyl-2-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-5,6-dimethyl-2-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-5,6-dimethyl-2-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-5,6-dimethyl-2-[[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-5,6-dimethyl-2-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[[2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C)SC(=C2C)C

InChI

InChI=1S/C22H25N3O4S3/c1-5-24-21(27)19-13(2)14(3)31-20(19)23-22(24)30-12-18(26)16-8-9-17-15(11-16)7-6-10-25(17)32(4,28)29/h8-9,11H,5-7,10,12H2,1-4H3