methyl 1-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-[(3-methoxyphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-keto-2-(m-anisylthio)-1H-pyrimidin-6-yl]acetyl]isonipecotic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H25N3O5S/c1-28-17-5-3-4-14(10-17)13-30-21-22-16(11-18(25)23-21)12-19(26)24-8-6-15(7-9-24)20(27)29-2/h3-5,10-11,15H,6-9,12-13H2,1-2H3,(H,22,23,25)