(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl ester IUPAC Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl ester Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC(=O)N=C(N3)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC(=O)N=C(N3)SC

InChI

InChI=1S/C19H23N3O5S2/c1-13-6-7-15(29(25,26)22-8-4-3-5-9-22)11-16(13)18(24)27-12-14-10-17(23)21-19(20-14)28-2/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,20,21,23)