ethyl 4-(butylamino)-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-(butylamino)-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-benzyl-4-(butylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(butylamino)-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(butylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-benzyl-4-(butylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2/c1-3-5-11-21-18-16-13-23-24(14-15-9-7-6-8-10-15)19(16)22-12-17(18)20(25)26-4-2/h6-10,12-13H,3-5,11,14H2,1-2H3,(H,21,22)