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

Systemtic Name: dimethyl 5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H17N5O4/c1-29-20(27)13-8-14(21(28)30-2)10-15(9-13)25-18-17-11-24-26(19(17)23-12-22-18)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,22,23,25)