6-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-oxo-2-(pentan-3-ylamino)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-(1-ethylpropylamino)-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C12H16N5O2S- MolecularWeight: 294.35274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=C(C=NN2)C(=N1)[O-]

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC2=C(C=NN2)C(=N1)[O-]

InChI

InChI=1S/C12H17N5O2S/c1-3-7(4-2)14-9(18)6-20-12-15-10-8(5-13-17-10)11(19)16-12/h5,7H,3-4,6H2,1-2H3,(H,14,18)(H2,13,15,16,17,19)/p-1