naphthalen-1-ylmethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: naphthalen-1-ylmethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: 1-naphthylmethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid 1-naphthylmethyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O2S/c1-14-18(15(2)23-21(22-14)26-3)11-12-20(24)25-13-17-9-6-8-16-7-4-5-10-19(16)17/h4-10H,11-13H2,1-3H3