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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-ethoxy-benzamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-ethoxy-benzamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-4-ethoxybenzamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-ethoxybenzamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-ethoxy-benzamide Formula: C26H29N7O3 MolecularWeight: 487.55356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)OC

InChI

InChI=1S/C26H29N7O3/c1-3-36-19-7-4-16(5-8-19)26(34)31-20-9-6-17(14-21(20)35-2)23-22-24(27)29-15-30-25(22)33(32-23)18-10-12-28-13-11-18/h4-9,14-15,18,28H,3,10-13H2,1-2H3,(H,31,34)(H2,27,29,30)