ethyl 4-methyl-6-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[[2-keto-2-[(3S)-3-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)N2CCCC(C2)C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC(=O)N2CCC[C@@H](C2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O3S/c1-4-28-22(27)19-16(3)23-20(17-10-6-5-7-11-17)24-21(19)29-14-18(26)25-12-8-9-15(2)13-25/h5-7,10-11,15H,4,8-9,12-14H2,1-3H3/t15-/m0/s1