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

Systemtic Name: 5-azanyl-3-(2-methylpropylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-amino-3-isobutylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-amino-3-(2-methylpropylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-amino-3-(2-methylpropylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-amino-3-(isobutylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C9H13N5OS MolecularWeight: 239.29742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N5OS/c1-5(2)4-16-9-13-12-8-11-7(15)3-6(10)14(8)9/h3,5H,4,10H2,1-2H3,(H,11,12,15)