1-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]phenyl]ethanone Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C18H20N6O/c1-13(25)14-3-5-15(6-4-14)23-7-9-24(10-8-23)18-16-11-21-22(2)17(16)19-12-20-18/h3-6,11-12H,7-10H2,1-2H3