N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-7-methyl-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-methyl-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-methyl-benzofuran-2-carboxamide CAS Name: acetic acid; N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-7-methyl-2-benzofurancarboxamide IUPAC Name: acetic acid; N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-7-methyl-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-methyl-coumarilamide Formula: C29H31N7O5 MolecularWeight: 557.60034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC(=C2)C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CCNCC6)OC.CC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1OC(=C2)C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CCNCC6)OC.CC(=O)O

InChI

InChI=1S/C27H27N7O3.C2H4O2/c1-15-4-3-5-17-13-21(37-24(15)17)27(35)32-19-7-6-16(12-20(19)36-2)23-22-25(28)30-14-31-26(22)34(33-23)18-8-10-29-11-9-18;1-2(3)4/h3-7,12-14,18,29H,8-11H2,1-2H3,(H,32,35)(H2,28,30,31);1H3,(H,3,4)