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

Systemtic Name: ethyl 4-[[4-(cyclohexylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoate Openeye Name: ethyl 4-[[4-(cyclohexylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoate CAS Name: 4-[[4-(cyclohexylamino)-1-methyl-6-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclohexylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoate Traditional Name: 4-[[4-(cyclohexylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoic acid ethyl ester Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=NN3C)C(=N2)NC4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=NN3C)C(=N2)NC4CCCCC4

InChI

InChI=1S/C21H26N6O2/c1-3-29-20(28)14-9-11-16(12-10-14)24-21-25-18(23-15-7-5-4-6-8-15)17-13-22-27(2)19(17)26-21/h9-13,15H,3-8H2,1-2H3,(H2,23,24,25,26)