6-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C15H14N5O2S- MolecularWeight: 328.36896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

InChI

InChI=1S/C15H15N5O2S/c1-8-3-4-9(2)11(5-8)17-12(21)7-23-15-18-13-10(6-16-20-13)14(22)19-15/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19,20,22)/p-1