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

Systemtic Name: 5-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H22N8O2 MolecularWeight: 430.46248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H22N8O2/c31-19(27-11-13-28(14-12-27)22-23-8-4-9-24-22)7-10-29-16-25-20-18(21(29)32)15-26-30(20)17-5-2-1-3-6-17/h1-6,8-9,15-16H,7,10-14H2