5-acetamido-N-[4-(4-acetamido-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-1-benzofuran-2-carboxamide; ethanoic acid

Systemtic Name: 5-acetamido-N-[4-(4-acetamido-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-1-benzofuran-2-carboxamide; ethanoic acid Openeye Name: 5-acetamido-N-[4-[4-acetamido-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzofuran-2-carboxamide; acetic acid CAS Name: 5-acetamido-N-[4-[4-acetamido-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-benzofurancarboxamide; acetic acid IUPAC Name: 5-acetamido-N-[4-(4-acetamido-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-benzofuran-2-carboxamide; acetic acid Traditional Name: 5-acetamido-N-[4-[4-acetamido-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]coumarilamide; acetic acid Formula: C32H34N8O7 MolecularWeight: 642.66176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)OC(=C2)C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)NC(=O)C)C6CCNCC6)OC.CC(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)OC(=C2)C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)NC(=O)C)C6CCNCC6)OC.CC(=O)O

InChI

InChI=1S/C30H30N8O5.C2H4O2/c1-16(39)34-20-5-7-23-19(12-20)14-25(43-23)30(41)36-22-6-4-18(13-24(22)42-3)27-26-28(35-17(2)40)32-15-33-29(26)38(37-27)21-8-10-31-11-9-21;1-2(3)4/h4-7,12-15,21,31H,8-11H2,1-3H3,(H,34,39)(H,36,41)(H,32,33,35,40);1H3,(H,3,4)