2-(pyrimidin-4-ylmethylsulfanyl)ethyl ethanoate hydrochloride

Systemtic Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl ethanoate hydrochloride Openeye Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl acetate hydrochloride CAS Name: acetic acid 2-(4-pyrimidinylmethylthio)ethyl ester hydrochloride IUPAC Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl acetate hydrochloride Traditional Name: acetic acid 2-(4-pyrimidylmethylthio)ethyl ester hydrochloride Formula: C9H13ClN2O2S MolecularWeight: 248.72972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSCC1=NC=NC=C1.Cl

Isomeric SMILES

CC(=O)OCCSCC1=NC=NC=C1.Cl

InChI

InChI=1S/C9H12N2O2S.ClH/c1-8(12)13-4-5-14-6-9-2-3-10-7-11-9;/h2-3,7H,4-6H2,1H3;1H