1H-pyrazolo[3,4-b]pyridin-5-yl 3,5-bis(oxidanyl)-2-propan-2-yl-hept-6-enoate

Systemtic Name: 1H-pyrazolo[3,4-b]pyridin-5-yl 3,5-bis(oxidanyl)-2-propan-2-yl-hept-6-enoate Openeye Name: 1H-pyrazolo[3,4-b]pyridin-5-yl 3,5-dihydroxy-2-isopropyl-hept-6-enoate CAS Name: 3,5-dihydroxy-2-propan-2-yl-6-heptenoic acid 1H-pyrazolo[3,4-b]pyridin-5-yl ester IUPAC Name: 1H-pyrazolo[3,4-b]pyridin-5-yl 3,5-dihydroxy-2-propan-2-ylhept-6-enoate Traditional Name: 3,5-dihydroxy-2-isopropyl-hept-6-enoic acid 1H-pyrazolo[3,4-b]pyridin-5-yl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(CC(C=C)O)O)C(=O)OC1=CN=C2C(=C1)C=NN2

Isomeric SMILES

CC(C)C(C(CC(C=C)O)O)C(=O)OC1=CN=C2C(=C1)C=NN2

InChI

InChI=1S/C16H21N3O4/c1-4-11(20)6-13(21)14(9(2)3)16(22)23-12-5-10-7-18-19-15(10)17-8-12/h4-5,7-9,11,13-14,20-21H,1,6H2,2-3H3,(H,17,18,19)