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

Systemtic Name: methyl 3-(6-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)oxythiophene-2-carboxylate Openeye Name: methyl 3-(6-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)oxythiophene-2-carboxylate CAS Name: 3-[[6-(methylthio)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(6-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxythiophene-2-carboxylate Traditional Name: 3-[6-(methylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]oxythiophene-2-carboxylic acid methyl ester Formula: C18H14N4O3S2 MolecularWeight: 398.45876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)OC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)SC

Isomeric SMILES

COC(=O)C1=C(C=CS1)OC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)SC

InChI

InChI=1S/C18H14N4O3S2/c1-24-17(23)14-13(8-9-27-14)25-16-12-10-19-22(11-6-4-3-5-7-11)15(12)20-18(21-16)26-2/h3-10H,1-2H3