[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C22H29N3O5S/c1-5-28-17-6-8-18(9-7-17)29-13-12-23-20(26)14-30-21(27)11-10-19-15(2)24-22(31-4)25-16(19)3/h6-9H,5,10-14H2,1-4H3,(H,23,26)