5,6-dimethyl-2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H22N4O3S3 MolecularWeight: 450.59798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C19H22N4O3S3/c1-12-13(2)28-19-17(12)18(24)21-15(22-19)11-27-16-7-6-14(10-20-16)29(25,26)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,22,24)