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

Systemtic Name: 2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C19H18N4O4S3 MolecularWeight: 462.56562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C19H18N4O4S3/c24-18-17-13(6-9-28-17)20-16(22-18)11-29-19-21-14-10-12(4-5-15(14)27-19)30(25,26)23-7-2-1-3-8-23/h4-6,9-10H,1-3,7-8,11H2,(H,20,22,24)