methyl 4-[(3S)-3-[5-methyl-2-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3S)-3-[5-methyl-2-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3S)-3-[5-methyl-2-(2-morpholinoethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-[5-methyl-2-[2-(4-morpholinyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-[5-methyl-2-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(3S)-3-[5-methyl-2-(2-morpholinoethylthio)pyrimidin-4-yl]piperidino]butyric acid methyl ester Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CCC(=O)OC)SCCN3CCOCC3

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)CCC(=O)OC)SCCN3CCOCC3

InChI

InChI=1S/C21H32N4O4S/c1-16-14-22-21(30-13-10-24-8-11-29-12-9-24)23-20(16)17-4-3-7-25(15-17)18(26)5-6-19(27)28-2/h14,17H,3-13,15H2,1-2H3/t17-/m0/s1