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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C2N(C1=O)N=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

COC1=CN=C2N(C1=O)N=C(S2)SCC3=CC=CC=C3

InChI

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