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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-5-bromanyl-1-benzofuran-2-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-5-bromo-benzofuran-2-carboxamide CAS Name: acetic acid; N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-5-bromo-2-benzofurancarboxamide IUPAC Name: acetic acid; N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-5-bromo-1-benzofuran-2-carboxamide Traditional Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-5-bromo-coumarilamide Formula: C28H28BrN7O5 MolecularWeight: 622.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC6=C(O5)C=CC(=C6)Br

Isomeric SMILES

CC(=O)O.COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC6=C(O5)C=CC(=C6)Br

InChI

InChI=1S/C26H24BrN7O3.C2H4O2/c1-36-20-11-14(2-4-18(20)32-26(35)21-12-15-10-16(27)3-5-19(15)37-21)23-22-24(28)30-13-31-25(22)34(33-23)17-6-8-29-9-7-17;1-2(3)4/h2-5,10-13,17,29H,6-9H2,1H3,(H,32,35)(H2,28,30,31);1H3,(H,3,4)