dimethyl 5-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzene-1,3-dicarboxylate CAS Name: 5-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)oxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzene-1,3-dicarboxylate Traditional Name: 5-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O5/c1-28-20(26)13-8-14(21(27)29-2)10-16(9-13)30-19-17-11-24-25(18(17)22-12-23-19)15-6-4-3-5-7-15/h3-12H,1-2H3