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

Systemtic Name: methyl 4-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O3/c1-13-3-7-15(8-4-13)24-18-17(11-23-24)19(22-12-21-18)27-16-9-5-14(6-10-16)20(25)26-2/h3-12H,1-2H3