2-heptylsulfanyl-6-methyl-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 2-heptylsulfanyl-6-methyl-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 2-heptylsulfanyl-5-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 2-(heptylthio)-5-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 2-heptylsulfanyl-5-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 2-(heptylthio)-5-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN2C(=C(C(=O)N=C2S1)C)O

Isomeric SMILES

CCCCCCCSC1=NN2C(=C(C(=O)N=C2S1)C)O

InChI

InChI=1S/C13H19N3O2S2/c1-3-4-5-6-7-8-19-13-15-16-11(18)9(2)10(17)14-12(16)20-13/h18H,3-8H2,1-2H3