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

Systemtic Name: 4-azanyl-5-methyl-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 4-amino-2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 4-amino-5-methyl-2-(phenylmethylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 4-amino-2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 4-amino-2-(benzylthio)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=NC(=N2)SCC3=CC=CC=C3)N1N

Isomeric SMILES

CC1=CC(=O)N2C(=NC(=N2)SCC3=CC=CC=C3)N1N

InChI

InChI=1S/C13H13N5OS/c1-9-7-11(19)18-13(17(9)14)15-12(16-18)20-8-10-5-3-2-4-6-10/h2-7H,8,14H2,1H3