5-azanyl-6-(3-sulfanylpropyl)-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-azanyl-6-(3-sulfanylpropyl)-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-amino-6-(3-sulfanylpropyl)-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-amino-6-(3-mercaptopropyl)-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-amino-6-(3-sulfanylpropyl)-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-amino-6-(3-mercaptopropyl)-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C8H11N5OS MolecularWeight: 225.27084

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN2C(=O)C(C(=NC2=N1)N)CCCS

Isomeric SMILES

C1=NN2C(=O)C(C(=NC2=N1)N)CCCS

InChI

InChI=1S/C8H11N5OS/c9-6-5(2-1-3-15)7(14)13-8(12-6)10-4-11-13/h4-5,15H,1-3H2,(H2,9,10,11,12)