2-(pyrimidin-4-ylmethylsulfanyl)ethyl 3-methylbutanoate

Systemtic Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl 3-methylbutanoate Openeye Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid 2-(4-pyrimidinylmethylthio)ethyl ester IUPAC Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid 2-(4-pyrimidylmethylthio)ethyl ester Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCCSCC1=NC=NC=C1

Isomeric SMILES

CC(C)CC(=O)OCCSCC1=NC=NC=C1

InChI

InChI=1S/C12H18N2O2S/c1-10(2)7-12(15)16-5-6-17-8-11-3-4-13-9-14-11/h3-4,9-10H,5-8H2,1-2H3