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

Systemtic Name: 1-tert-butyl-5-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-5-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-5-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-tert-butyl-5-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-tert-butyl-5-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H26N8O2 MolecularWeight: 410.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N8O2/c1-20(2,3)28-17-15(13-24-28)18(30)27(14-23-17)8-5-16(29)25-9-11-26(12-10-25)19-21-6-4-7-22-19/h4,6-7,13-14H,5,8-12H2,1-3H3