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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-ethoxy-benzamide; ethanoic acid Openeye Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-ethoxy-benzamide CAS Name: acetic acid; N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-4-ethoxybenzamide IUPAC Name: acetic acid; N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-ethoxybenzamide Traditional Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-ethoxy-benzamide Formula: C28H33N7O5 MolecularWeight: 547.60552

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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.CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H29N7O3.C2H4O2/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;1-2(3)4/h4-9,14-15,18,28H,3,10-13H2,1-2H3,(H,31,34)(H2,27,29,30);1H3,(H,3,4)