ethyl 4-(4-azanyl-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)benzoate

Systemtic Name: ethyl 4-(4-azanyl-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)benzoate Openeye Name: ethyl 4-(4-amino-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)benzoate CAS Name: 4-(4-amino-1-tert-butyl-3-pyrazolo[3,4-d]pyrimidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)benzoate Traditional Name: 4-(4-amino-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)benzoic acid ethyl ester Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C(C)(C)C

InChI

InChI=1S/C18H21N5O2/c1-5-25-17(24)12-8-6-11(7-9-12)14-13-15(19)20-10-21-16(13)23(22-14)18(2,3)4/h6-10H,5H2,1-4H3,(H2,19,20,21)