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

Systemtic Name: 5-(furan-2-yl)-2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H18N4O4S3 MolecularWeight: 474.57632

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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=CO5)C(=O)N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3

InChI

InChI=1S/C20H18N4O4S3/c25-19-18-14(15-4-3-9-28-15)11-30-20(18)23-16(22-19)12-29-17-6-5-13(10-21-17)31(26,27)24-7-1-2-8-24/h3-6,9-11H,1-2,7-8,12H2,(H,22,23,25)