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

Systemtic Name: 5-azanyl-3-(3-methylbutylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-amino-3-isopentylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-amino-3-(3-methylbutylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-amino-3-(3-methylbutylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-amino-3-(isoamylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C10H15N5OS MolecularWeight: 253.324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NNC2=NC(=O)C=C(N21)N

Isomeric SMILES

CC(C)CCSC1=NNC2=NC(=O)C=C(N21)N

InChI

InChI=1S/C10H15N5OS/c1-6(2)3-4-17-10-14-13-9-12-8(16)5-7(11)15(9)10/h5-6H,3-4,11H2,1-2H3,(H,12,13,16)