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

Systemtic Name: ethyl 4-[1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxybenzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O3/c1-3-28-21(27)14-5-8-16(9-6-14)29-20-17-11-25-26(19(17)23-12-24-20)15-7-4-13(2)18(22)10-15/h4-12H,3H2,1-2H3