1-tert-butyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-tert-butyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-tert-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-tert-butyl-5-[2-keto-2-(4-phenylpiperazino)ethyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N6O2/c1-21(2,3)27-19-17(13-23-27)20(29)26(15-22-19)14-18(28)25-11-9-24(10-12-25)16-7-5-4-6-8-16/h4-8,13,15H,9-12,14H2,1-3H3