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

Systemtic Name: 5-azanyl-3-(2-oxidanylidenepropylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 3-acetonylsulfanyl-5-amino-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-amino-3-(2-oxopropylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-amino-3-(2-oxopropylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 3-(acetonylthio)-5-amino-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C8H9N5O2S MolecularWeight: 239.25436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC2=NC(=O)C=C(N21)N

Isomeric SMILES

CC(=O)CSC1=NNC2=NC(=O)C=C(N21)N

InChI

InChI=1S/C8H9N5O2S/c1-4(14)3-16-8-12-11-7-10-6(15)2-5(9)13(7)8/h2H,3,9H2,1H3,(H,10,11,15)