(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-piperidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(1-piperidylsulfonyl)thiophene-2-carboxylate CAS Name: 3-(1-piperidinylsulfonyl)-2-thiophenecarboxylic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-piperidinosulfonylthiophene-2-carboxylic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C19H21N3O5S3 MolecularWeight: 467.58214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C19H21N3O5S3/c1-11-12(2)29-18-15(11)17(23)20-14(21-18)10-27-19(24)16-13(6-9-28-16)30(25,26)22-7-4-3-5-8-22/h6,9H,3-5,7-8,10H2,1-2H3,(H,20,21,23)