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

Systemtic Name: 6-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C16H14N5O2S- MolecularWeight: 340.37966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC4=C(C=NN4)C(=N3)[O-]

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CSC3=NC4=C(C=NN4)C(=N3)[O-]

InChI

InChI=1S/C16H15N5O2S/c1-9-6-10-4-2-3-5-12(10)21(9)13(22)8-24-16-18-14-11(7-17-20-14)15(23)19-16/h2-5,7,9H,6,8H2,1H3,(H2,17,18,19,20,23)/p-1/t9-/m0/s1