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

Systemtic Name: 3-methyl-4-(2-prop-2-enoxyphenyl)-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 4-(2-allyloxyphenyl)-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 3-methyl-4-(2-prop-2-enoxyphenyl)-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 3-methyl-4-(2-prop-2-enoxyphenyl)-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 4-(2-allyloxyphenyl)-3-methyl-1-(7H-purin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C21H19N7O2 MolecularWeight: 401.42126

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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=C5OCC=C

Isomeric SMILES

CC1=C2C(CC(=O)N=C2N(N1)C3=NC=NC4=C3NC=N4)C5=CC=CC=C5OCC=C

InChI

InChI=1S/C21H19N7O2/c1-3-8-30-15-7-5-4-6-13(15)14-9-16(29)26-20-17(14)12(2)27-28(20)21-18-19(23-10-22-18)24-11-25-21/h3-7,10-11,14,27H,1,8-9H2,2H3,(H,22,23,24,25)