1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-phenylphenoxy)propan-1-one

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-phenylphenoxy)propan-1-one Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-phenylphenoxy)propan-1-one CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-(4-phenylphenoxy)-1-propanone IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-phenylphenoxy)propan-1-one Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(4-phenylphenoxy)propan-1-one Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)OC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)OC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N6O2/c1-18(33-21-10-8-20(9-11-21)19-6-4-3-5-7-19)25(32)31-14-12-30(13-15-31)24-22-16-28-29(2)23(22)26-17-27-24/h3-11,16-18H,12-15H2,1-2H3