4-[4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperazin-2-one

Systemtic Name: 4-[4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperazin-2-one Openeye Name: 4-[4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperazin-2-one CAS Name: 4-[4-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]methyl]phenyl]-2-piperazinone IUPAC Name: 4-[4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperazin-2-one Traditional Name: 4-[4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperazin-2-one Formula: C17H19N7O MolecularWeight: 337.37906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NCC3=CC=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NCC3=CC=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C17H19N7O/c1-23-17-14(9-22-23)16(20-11-21-17)19-8-12-2-4-13(5-3-12)24-7-6-18-15(25)10-24/h2-5,9,11H,6-8,10H2,1H3,(H,18,25)(H,19,20,21)