6-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C10H11N6O3S- MolecularWeight: 295.29774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)SC1=NC2=C(C=NN2)C(=N1)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)SC1=NC2=C(C=NN2)C(=N1)[O-]

InChI

InChI=1S/C10H12N6O3S/c1-4(7(17)14-9(19)11-2)20-10-13-6-5(3-12-16-6)8(18)15-10/h3-4H,1-2H3,(H2,11,14,17,19)(H2,12,13,15,16,18)/p-1/t4-/m0/s1