3-[2-oxidanylidene-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CN4C=NC5=C(C4=O)C=CS5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CN4C=NC5=C(C4=O)C=CS5

InChI

InChI=1S/C21H22N4O4S2/c26-19(13-23-14-22-20-17(21(23)27)7-11-30-20)25-10-3-4-15-12-16(5-6-18(15)25)31(28,29)24-8-1-2-9-24/h5-7,11-12,14H,1-4,8-10,13H2