N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-7-methoxy-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]-7-methoxy-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]-7-methoxy-benzofuran-2-carboxamide CAS Name: acetic acid; N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: acetic acid; N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-7-methoxy-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]-7-methoxy-coumarilamide Formula: C29H31N7O6 MolecularWeight: 573.59974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=CC=CC2=C1OC(=C2)C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CCNCC6)OC

Isomeric SMILES

CC(=O)O.COC1=CC=CC2=C1OC(=C2)C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CCNCC6)OC

InChI

InChI=1S/C27H27N7O4.C2H4O2/c1-36-19-5-3-4-16-13-21(38-24(16)19)27(35)32-18-7-6-15(12-20(18)37-2)23-22-25(28)30-14-31-26(22)34(33-23)17-8-10-29-11-9-17;1-2(3)4/h3-7,12-14,17,29H,8-11H2,1-2H3,(H,32,35)(H2,28,30,31);1H3,(H,3,4)