5-(pyrimidin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(pyrimidin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(pyrimidin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-[(2-pyrimidinylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(pyrimidin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-[(2-pyrimidylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C10H8N6OS MolecularWeight: 260.27512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CC(=O)N3C(=N2)N=CN3

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC(=O)N3C(=N2)N=CN3

InChI

InChI=1S/C10H8N6OS/c17-8-4-7(15-9-13-6-14-16(8)9)5-18-10-11-2-1-3-12-10/h1-4,6H,5H2,(H,13,14,15)