N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2,2-dimethyl-propanamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2,2-dimethylpropanamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2,2-dimethyl-propionamide Formula: C22H29N7O2 MolecularWeight: 423.51136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)OC

InChI

InChI=1S/C22H29N7O2/c1-22(2,3)21(30)27-15-6-5-13(11-16(15)31-4)18-17-19(23)25-12-26-20(17)29(28-18)14-7-9-24-10-8-14/h5-6,11-12,14,24H,7-10H2,1-4H3,(H,27,30)(H2,23,25,26)