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

Systemtic Name: 6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C14H11N4O3S- MolecularWeight: 315.32714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

InChI

InChI=1S/C14H12N4O3S/c1-21-9-4-2-8(3-5-9)11(19)7-22-14-16-12-10(6-15-18-12)13(20)17-14/h2-6H,7H2,1H3,(H2,15,16,17,18,20)/p-1