ethyl 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N5O3/c1-3-29-21(27)14-4-6-15(7-5-14)25-19-18-12-24-26(20(18)23-13-22-19)16-8-10-17(28-2)11-9-16/h4-13H,3H2,1-2H3,(H,22,23,25)