3-methyl-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-methyl-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-methyl-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-methyl-2-[[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]thio]-3-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H19N3O4S3 MolecularWeight: 449.56686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C)SC=C2

InChI

InChI=1S/C19H19N3O4S3/c1-21-18(24)14-7-9-27-17(14)20-19(21)28-11-16(23)13-5-6-15-12(10-13)4-3-8-22(15)29(2,25)26/h5-7,9-10H,3-4,8,11H2,1-2H3