2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide Openeye Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(1-methylsulfonyl-4-piperidyl)propanamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-(1-methylsulfonyl-4-piperidinyl)propanamide IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide Traditional Name: 2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-(1-mesyl-4-piperidyl)propionamide Formula: C18H26N4O4S3 MolecularWeight: 458.61844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C18H26N4O4S3/c1-10-11(2)28-18-15(10)17(24)20-14(21-18)9-27-12(3)16(23)19-13-5-7-22(8-6-13)29(4,25)26/h12-13H,5-9H2,1-4H3,(H,19,23)(H,20,21,24)