dimethyl 5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H15N5O4/c1-21-14-12(7-19-21)13(17-8-18-14)20-11-5-9(15(22)24-2)4-10(6-11)16(23)25-3/h4-8H,1-3H3,(H,17,18,20)