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

Systemtic Name: 2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C17H18N4O3S3 MolecularWeight: 422.54482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C17H18N4O3S3/c22-17-16-13(6-9-25-16)19-14(20-17)11-26-15-5-4-12(10-18-15)27(23,24)21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,19,20,22)