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

Systemtic Name: methyl 4-[1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[1-(3-chloro-4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O3/c1-12-3-6-14(9-17(12)21)25-18-16(10-24-25)19(23-11-22-18)28-15-7-4-13(5-8-15)20(26)27-2/h3-11H,1-2H3