5-azanyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 5-azanyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-amino-3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-amino-3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-amino-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-amino-3-[(2-keto-2-piperidino-ethyl)thio]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C12H16N6O2S MolecularWeight: 308.35944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NNC3=NC(=O)C=C(N32)N

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NNC3=NC(=O)C=C(N32)N

InChI

InChI=1S/C12H16N6O2S/c13-8-6-9(19)14-11-15-16-12(18(8)11)21-7-10(20)17-4-2-1-3-5-17/h6H,1-5,7,13H2,(H,14,15,19)