1-tert-butyl-6-methyl-5-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-tert-butyl-6-methyl-5-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-6-methyl-5-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-6-methyl-5-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-tert-butyl-6-methyl-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]-6-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H28N8O2 MolecularWeight: 424.49942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N8O2/c1-15-25-18-16(14-24-29(18)21(2,3)4)19(31)28(15)9-6-17(30)26-10-12-27(13-11-26)20-22-7-5-8-23-20/h5,7-8,14H,6,9-13H2,1-4H3