(E)-1-[3-[5-methyl-2-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[3-[5-methyl-2-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[3-[5-methyl-2-(2-morpholinoethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[3-[5-methyl-2-[2-(4-morpholinyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[3-[5-methyl-2-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-[3-[5-methyl-2-(2-morpholinoethylthio)pyrimidin-4-yl]piperidino]-3-(3-pyridyl)prop-2-en-1-one Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C=CC3=CN=CC=C3)SCCN4CCOCC4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)/C=C/C3=CN=CC=C3)SCCN4CCOCC4

InChI

InChI=1S/C24H31N5O2S/c1-19-16-26-24(32-15-12-28-10-13-31-14-11-28)27-23(19)21-5-3-9-29(18-21)22(30)7-6-20-4-2-8-25-17-20/h2,4,6-8,16-17,21H,3,5,9-15,18H2,1H3/b7-6+