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

Systemtic Name: 5-phenyl-2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H22N4O3S3 MolecularWeight: 498.64078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C23H22N4O3S3/c28-22-21-18(16-7-3-1-4-8-16)14-32-23(21)26-19(25-22)15-31-20-10-9-17(13-24-20)33(29,30)27-11-5-2-6-12-27/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2,(H,25,26,28)