ethyl 4-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate

Systemtic Name: ethyl 4-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate Openeye Name: ethyl 4-[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoic acid ethyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C

InChI

InChI=1S/C21H18N4O3/c1-3-27-21(26)15-7-9-17(10-8-15)28-20-18-12-24-25(19(18)22-13-23-20)16-6-4-5-14(2)11-16/h4-13H,3H2,1-2H3