ethyl 4-[(1-methyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoate

Systemtic Name: ethyl 4-[(1-methyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoate Openeye Name: ethyl 4-[[1-methyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoate CAS Name: 4-[[1-methyl-4-(1-piperidinyl)-6-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-methyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoate Traditional Name: 4-[(1-methyl-4-piperidino-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid ethyl ester Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=NN3C)C(=N2)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=NN3C)C(=N2)N4CCCCC4

InChI

InChI=1S/C20H24N6O2/c1-3-28-19(27)14-7-9-15(10-8-14)22-20-23-17-16(13-21-25(17)2)18(24-20)26-11-5-4-6-12-26/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,23,24)