2-heptylsulfanyl-6-methoxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN2C(=O)C(=CN=C2S1)OC

Isomeric SMILES

CCCCCCCSC1=NN2C(=O)C(=CN=C2S1)OC

InChI

InChI=1S/C13H19N3O2S2/c1-3-4-5-6-7-8-19-13-15-16-11(17)10(18-2)9-14-12(16)20-13/h9H,3-8H2,1-2H3