methyl 2-(6-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbenzoate

Systemtic Name: methyl 2-(6-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbenzoate Openeye Name: methyl 2-(6-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbenzoate CAS Name: 2-[[6-(methylthio)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-(6-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbenzoate Traditional Name: 2-[[6-(methylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]thio]benzoic acid methyl ester Formula: C20H16N4O2S2 MolecularWeight: 408.49664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)SC

InChI

InChI=1S/C20H16N4O2S2/c1-26-19(25)14-10-6-7-11-16(14)28-18-15-12-21-24(13-8-4-3-5-9-13)17(15)22-20(23-18)27-2/h3-12H,1-2H3