methyl 3-(6-ethylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)oxythiophene-2-carboxylate

Systemtic Name: methyl 3-(6-ethylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)oxythiophene-2-carboxylate Openeye Name: methyl 3-(6-ethylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)oxythiophene-2-carboxylate CAS Name: 3-[[6-(ethylthio)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(6-ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxythiophene-2-carboxylate Traditional Name: 3-[6-(ethylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]oxythiophene-2-carboxylic acid methyl ester Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)OC4=C(SC=C4)C(=O)OC

Isomeric SMILES

CCSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)OC4=C(SC=C4)C(=O)OC

InChI

InChI=1S/C19H16N4O3S2/c1-3-27-19-21-16-13(11-20-23(16)12-7-5-4-6-8-12)17(22-19)26-14-9-10-28-15(14)18(24)25-2/h4-11H,3H2,1-2H3