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

Systemtic Name: 6-methyl-7-oxidanyl-2-(phenylmethylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one Openeye Name: 2-benzylsulfanyl-7-hydroxy-6-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one CAS Name: 7-hydroxy-6-methyl-2-(phenylmethylthio)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one IUPAC Name: 2-benzylsulfanyl-7-hydroxy-6-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one Traditional Name: 2-(benzylthio)-7-hydroxy-6-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O2S/c1-8-10(18)14-12-15-13(16-17(12)11(8)19)20-7-9-5-3-2-4-6-9/h2-6,19H,7H2,1H3,(H,14,15,16,18)