methyl 4-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC=C(C=C4)C(=O)OC)C

InChI

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