5-acetamido-N-[4-(4-azanyl-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-azanyl-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-amino-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-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-benzofurancarboxamide; acetic acid IUPAC Name: 5-acetamido-N-[4-(4-amino-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-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]coumarilamide; acetic acid Formula: C30H32N8O6 MolecularWeight: 600.62508

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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)N)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)N)C6CCNCC6)OC.CC(=O)O

InChI

InChI=1S/C28H28N8O4.C2H4O2/c1-15(37)33-18-4-6-21-17(11-18)13-23(40-21)28(38)34-20-5-3-16(12-22(20)39-2)25-24-26(29)31-14-32-27(24)36(35-25)19-7-9-30-10-8-19;1-2(3)4/h3-6,11-14,19,30H,7-10H2,1-2H3,(H,33,37)(H,34,38)(H2,29,31,32);1H3,(H,3,4)