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

Systemtic Name: [6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)COC(=O)C4CCN(CC4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)COC(=O)C4CCN(CC4)S(=O)(=O)C)C

InChI

InChI=1S/C22H25N3O5S2/c1-13-4-6-15(7-5-13)18-14(2)31-21-19(18)20(26)23-17(24-21)12-30-22(27)16-8-10-25(11-9-16)32(3,28)29/h4-7,16H,8-12H2,1-3H3,(H,23,24,26)