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

Systemtic Name: [4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-(1-methylpyrazol-4-yl)methanone Openeye Name: [4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanone CAS Name: [4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]-(1-methyl-4-pyrazolyl)methanone IUPAC Name: [4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-(1-methylpyrazol-4-yl)methanone Traditional Name: [4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanone Formula: C21H22N8O MolecularWeight: 402.45238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)C2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5

Isomeric SMILES

CN1C=C(C=N1)C(=O)C2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5

InChI

InChI=1S/C21H22N8O/c1-28-11-15(10-26-28)19(30)14-4-2-13(3-5-14)18-17-20(22)24-12-25-21(17)29(27-18)16-6-8-23-9-7-16/h2-5,10-12,16,23H,6-9H2,1H3,(H2,22,24,25)