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

Systemtic Name: 3-methyl-4-(3-propan-2-yloxyphenyl)-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 4-(3-isopropoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 3-methyl-4-(3-propan-2-yloxyphenyl)-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 3-methyl-4-(3-propan-2-yloxyphenyl)-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 4-(3-isopropoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O2/c1-11(2)30-14-6-4-5-13(7-14)15-8-16(29)26-20-17(15)12(3)27-28(20)21-18-19(23-9-22-18)24-10-25-21/h4-7,9-11,15,27H,8H2,1-3H3,(H,22,23,24,25)