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

Systemtic Name: ethyl 4-(oxan-4-ylamino)-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-benzyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(4-oxanylamino)-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-benzyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3CCOCC3)C=NN2CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3CCOCC3)C=NN2CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3/c1-2-28-21(26)18-12-22-20-17(19(18)24-16-8-10-27-11-9-16)13-23-25(20)14-15-6-4-3-5-7-15/h3-7,12-13,16H,2,8-11,14H2,1H3,(H,22,24)