4-(3-methoxy-4-prop-2-ynoxy-phenyl)-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 4-(3-methoxy-4-prop-2-ynoxy-phenyl)-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 4-(3-methoxy-4-prop-2-ynoxy-phenyl)-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 4-(3-methoxy-4-prop-2-ynoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 4-(3-methoxy-4-prop-2-ynoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 4-(3-methoxy-4-propargyloxy-phenyl)-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C22H19N7O3 MolecularWeight: 429.43136

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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)OCC#C)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H19N7O3/c1-4-7-32-15-6-5-13(8-16(15)31-3)14-9-17(30)27-21-18(14)12(2)28-29(21)22-19-20(24-10-23-19)25-11-26-22/h1,5-6,8,10-11,14,28H,7,9H2,2-3H3,(H,23,24,25,26)