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(3-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

(3-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name:(3-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate
Openeye Name:(3-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate
CAS Name:3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (3-cyanophenyl)methyl ester
IUPAC Name:(3-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
Traditional Name:3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (3-cyanobenzyl) ester
Formula: C18H19N3O2S
MolecularWeight: 341.42736
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC=CC(=C2)C#N


Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC=CC(=C2)C#N


InChI

InChI=1S/C18H19N3O2S/c1-12-16(13(2)21-18(20-12)24-3)7-8-17(22)23-11-15-6-4-5-14(9-15)10-19/h4-6,9H,7-8,11H2,1-3H3


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