3,4-bis(pyrimidin-2-yldisulfanyl)butanoate

Systemtic Name: 3,4-bis(pyrimidin-2-yldisulfanyl)butanoate Openeye Name: 3,4-bis(pyrimidin-2-yldisulfanyl)butanoate CAS Name: 3,4-bis(2-pyrimidinyldisulfanyl)butanoate IUPAC Name: 3,4-bis(pyrimidin-2-yldisulfanyl)butanoate Traditional Name: 3,4-bis(2-pyrimidyldisulfanyl)butyrate Formula: C12H11N4O2S4- MolecularWeight: 371.50134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SSCC(CC(=O)[O-])SSC2=NC=CC=N2

Isomeric SMILES

C1=CN=C(N=C1)SSCC(CC(=O)[O-])SSC2=NC=CC=N2

InChI

InChI=1S/C12H12N4O2S4/c17-10(18)7-9(20-22-12-15-5-2-6-16-12)8-19-21-11-13-3-1-4-14-11/h1-6,9H,7-8H2,(H,17,18)/p-1