[4-(4-propan-2-ylpiperazin-1-yl)phenyl] 3-(1-tert-butyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate

Systemtic Name: [4-(4-propan-2-ylpiperazin-1-yl)phenyl] 3-(1-tert-butyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate Openeye Name: [4-(4-isopropylpiperazin-1-yl)phenyl] 3-(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate CAS Name: 3-(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-1-azetidinecarboxylic acid [4-(4-propan-2-yl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-propan-2-ylpiperazin-1-yl)phenyl] 3-(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate Traditional Name: 3-(1-tert-butyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylic acid [4-(4-isopropylpiperazino)phenyl] ester Formula: C26H35N7O3 MolecularWeight: 493.6012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)N3CC(C3)C4=NC(=O)C5=CNN(C5=N4)C(C)(C)C

Isomeric SMILES

CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)N3CC(C3)C4=NC(=O)C5=CNN(C5=N4)C(C)(C)C

InChI

InChI=1S/C26H35N7O3/c1-17(2)30-10-12-31(13-11-30)19-6-8-20(9-7-19)36-25(35)32-15-18(16-32)22-28-23-21(24(34)29-22)14-27-33(23)26(3,4)5/h6-9,14,17-18,27H,10-13,15-16H2,1-5H3