(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,6-di(propan-2-yl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C(C)C

InChI

InChI=1S/C22H25N5O4S/c1-6-30-22(29)18-16(14(8-23)19(24)32-18)10-31-21(28)13-7-17(11(2)3)26-20-15(13)9-25-27(20)12(4)5/h7,9,11-12H,6,10,24H2,1-5H3