4-(pyrimidin-4-ylmethylsulfanyl)butan-2-yl ethanoate

Systemtic Name: 4-(pyrimidin-4-ylmethylsulfanyl)butan-2-yl ethanoate Openeye Name: [1-methyl-3-(pyrimidin-4-ylmethylsulfanyl)propyl] acetate CAS Name: acetic acid 4-(4-pyrimidinylmethylthio)butan-2-yl ester IUPAC Name: 4-(pyrimidin-4-ylmethylsulfanyl)butan-2-yl acetate Traditional Name: acetic acid [1-methyl-3-(4-pyrimidylmethylthio)propyl] ester Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSCC1=NC=NC=C1)OC(=O)C

Isomeric SMILES

CC(CCSCC1=NC=NC=C1)OC(=O)C

InChI

InChI=1S/C11H16N2O2S/c1-9(15-10(2)14)4-6-16-7-11-3-5-12-8-13-11/h3,5,8-9H,4,6-7H2,1-2H3