ethyl 4-azanyl-3-(cyanomethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-3-(cyanomethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-3-(cyanomethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-6-carboxylate CAS Name: 4-amino-3-(cyanomethyl)-1-phenyl-6-pyrazolo[3,4-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-3-(cyanomethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-3-(cyanomethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C(=NN2C3=CC=CC=C3)CC#N)C(=N1)N

Isomeric SMILES

CCOC(=O)C1=NC2=C(C(=NN2C3=CC=CC=C3)CC#N)C(=N1)N

InChI

InChI=1S/C16H14N6O2/c1-2-24-16(23)14-19-13(18)12-11(8-9-17)21-22(15(12)20-14)10-6-4-3-5-7-10/h3-7H,2,8H2,1H3,(H2,18,19,20)