(phenylmethyl) 4-azanyl-6-butyl-pyrazolo[3,4-d]pyrimidine-2-carboxylate

Systemtic Name: (phenylmethyl) 4-azanyl-6-butyl-pyrazolo[3,4-d]pyrimidine-2-carboxylate Openeye Name: benzyl 4-amino-6-butyl-pyrazolo[3,4-d]pyrimidine-2-carboxylate CAS Name: 4-amino-6-butyl-2-pyrazolo[3,4-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-amino-6-butylpyrazolo[3,4-d]pyrimidine-2-carboxylate Traditional Name: 4-amino-6-butyl-pyrazolo[3,4-d]pyrimidine-2-carboxylic acid benzyl ester Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=NN(C=C2C(=N1)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC2=NN(C=C2C(=N1)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O2/c1-2-3-9-14-19-15(18)13-10-22(21-16(13)20-14)17(23)24-11-12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3,(H2,18,19,20,21)