ethyl 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC(=O)N2CCC(CC2)C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC(=O)N2CCC(CC2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O3S/c1-4-28-22(27)19-16(3)23-20(17-8-6-5-7-9-17)24-21(19)29-14-18(26)25-12-10-15(2)11-13-25/h5-9,15H,4,10-14H2,1-3H3