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

Systemtic Name: 6-methyl-5-oxidanyl-2-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 2-benzylsulfanyl-5-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 5-hydroxy-6-methyl-2-(phenylmethylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 2-benzylsulfanyl-5-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 2-(benzylthio)-5-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C13H11N3O2S2 MolecularWeight: 305.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=NC1=O)SC(=N2)SCC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(N2C(=NC1=O)SC(=N2)SCC3=CC=CC=C3)O

InChI

InChI=1S/C13H11N3O2S2/c1-8-10(17)14-12-16(11(8)18)15-13(20-12)19-7-9-5-3-2-4-6-9/h2-6,18H,7H2,1H3