(4-azanylquinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C19H18N6O2/c1-11(2)25-18-12(9-22-25)7-13(8-21-18)19(26)27-10-16-23-15-6-4-3-5-14(15)17(20)24-16/h3-9,11H,10H2,1-2H3,(H2,20,23,24)