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

Systemtic Name: methyl 4-[3-methyl-6-oxidanylidene-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Openeye Name: methyl 4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate CAS Name: 4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Traditional Name: 4-[6-keto-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid methyl ester Formula: C20H17N7O3 MolecularWeight: 403.39408

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17N7O3/c1-10-15-13(11-3-5-12(6-4-11)20(29)30-2)7-14(28)25-18(15)27(26-10)19-16-17(22-8-21-16)23-9-24-19/h3-6,8-9,13,26H,7H2,1-2H3,(H,21,22,23,24)