quinolin-8-ylmethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: quinolin-8-ylmethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: 8-quinolylmethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid 8-quinolylmethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-13-17(14(2)23-20(22-13)26-3)9-10-18(24)25-12-16-7-4-6-15-8-5-11-21-19(15)16/h4-8,11H,9-10,12H2,1-3H3