[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-(1H-pyrazol-4-yl)methanone

Systemtic Name: [4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-(1H-pyrazol-4-yl)methanone Openeye Name: [4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-(1H-pyrazol-4-yl)methanone CAS Name: [4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]-(1H-pyrazol-4-yl)methanone IUPAC Name: [4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-(1H-pyrazol-4-yl)methanone Traditional Name: [4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-(1H-pyrazol-4-yl)methanone Formula: C20H20N8O MolecularWeight: 388.4258

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C3=C(C(=N2)C4=CC=C(C=C4)C(=O)C5=CNN=C5)C(=NC=N3)N

Isomeric SMILES

C1CNCCC1N2C3=C(C(=N2)C4=CC=C(C=C4)C(=O)C5=CNN=C5)C(=NC=N3)N

InChI

InChI=1S/C20H20N8O/c21-19-16-17(12-1-3-13(4-2-12)18(29)14-9-25-26-10-14)27-28(20(16)24-11-23-19)15-5-7-22-8-6-15/h1-4,9-11,15,22H,5-8H2,(H,25,26)(H2,21,23,24)