4-[(4R)-3-methyl-6-oxidanylidene-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate

Systemtic Name: 4-[(4R)-3-methyl-6-oxidanylidene-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Openeye Name: 4-[(4R)-3-methyl-6-oxo-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate CAS Name: 4-[(4R)-3-methyl-6-oxo-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate IUPAC Name: 4-[(4R)-3-methyl-6-oxo-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Traditional Name: 4-[(4R)-6-keto-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Formula: C19H14N7O3- MolecularWeight: 388.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CC(=O)N=C2N(N1)C3=NC=NC4=C3NC=N4)C5=CC=C(C=C5)C(=O)[O-]

Isomeric SMILES

CC1=C2[C@H](CC(=O)N=C2N(N1)C3=NC=NC4=C3NC=N4)C5=CC=C(C=C5)C(=O)[O-]

InChI

InChI=1S/C19H15N7O3/c1-9-14-12(10-2-4-11(5-3-10)19(28)29)6-13(27)24-17(14)26(25-9)18-15-16(21-7-20-15)22-8-23-18/h2-5,7-8,12,25H,6H2,1H3,(H,28,29)(H,20,21,22,23)/p-1/t12-/m1/s1