diethyl 1-methyl-3-thiophen-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-dicarboxylate

Systemtic Name: diethyl 1-methyl-3-thiophen-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-dicarboxylate Openeye Name: diethyl 1-methyl-3-(2-thienyl)pyrazolo[3,4-d]pyrimidine-4,6-dicarboxylate CAS Name: 1-methyl-3-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-methyl-3-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4,6-dicarboxylate Traditional Name: 1-methyl-3-(2-thienyl)pyrazolo[3,4-d]pyrimidine-4,6-dicarboxylic acid diethyl ester Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=NN(C2=NC(=N1)C(=O)OCC)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C2C(=NN(C2=NC(=N1)C(=O)OCC)C)C3=CC=CS3

InChI

InChI=1S/C16H16N4O4S/c1-4-23-15(21)12-10-11(9-7-6-8-25-9)19-20(3)14(10)18-13(17-12)16(22)24-5-2/h6-8H,4-5H2,1-3H3