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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-3-(dimethylamino)benzamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-3-(dimethylamino)benzamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-3-(dimethylamino)benzamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-3-(dimethylamino)benzamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-3-(dimethylamino)benzamide Formula: C26H30N8O2 MolecularWeight: 486.5688

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)OC

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)OC

InChI

InChI=1S/C26H30N8O2/c1-33(2)19-6-4-5-17(13-19)26(35)31-20-8-7-16(14-21(20)36-3)23-22-24(27)29-15-30-25(22)34(32-23)18-9-11-28-12-10-18/h4-8,13-15,18,28H,9-12H2,1-3H3,(H,31,35)(H2,27,29,30)