S-[2-(propanoylamino)ethyl] 2-methyl-3-oxidanyl-5-pyrimidin-2-ylsulfanyl-pentanethioate

Systemtic Name: S-[2-(propanoylamino)ethyl] 2-methyl-3-oxidanyl-5-pyrimidin-2-ylsulfanyl-pentanethioate Openeye Name: S-[2-(propanoylamino)ethyl] 3-hydroxy-2-methyl-5-pyrimidin-2-ylsulfanyl-pentanethioate CAS Name: 3-hydroxy-2-methyl-5-(2-pyrimidinylthio)pentanethioic acid S-[2-(1-oxopropylamino)ethyl] ester IUPAC Name: S-[2-(propanoylamino)ethyl] 3-hydroxy-2-methyl-5-pyrimidin-2-ylsulfanylpentanethioate Traditional Name: 3-hydroxy-2-methyl-5-(2-pyrimidylthio)pentanethioic acid S-(2-propionamidoethyl) ester Formula: C15H23N3O3S2 MolecularWeight: 357.49142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCSC(=O)C(C)C(CCSC1=NC=CC=N1)O

Isomeric SMILES

CCC(=O)NCCSC(=O)C(C)C(CCSC1=NC=CC=N1)O

InChI

InChI=1S/C15H23N3O3S2/c1-3-13(20)16-8-10-22-14(21)11(2)12(19)5-9-23-15-17-6-4-7-18-15/h4,6-7,11-12,19H,3,5,8-10H2,1-2H3,(H,16,20)