5-phenyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N4O3S3 MolecularWeight: 484.6142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C22H20N4O3S3/c27-21-20-17(15-6-2-1-3-7-15)13-31-22(20)25-18(24-21)14-30-19-9-8-16(12-23-19)32(28,29)26-10-4-5-11-26/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,24,25,27)