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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-5-nitro-1-benzofuran-2-carboxamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-5-nitro-benzofuran-2-carboxamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-5-nitro-2-benzofurancarboxamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-5-nitro-1-benzofuran-2-carboxamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-5-nitro-coumarilamide Formula: C26H24N8O5 MolecularWeight: 528.51936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC6=C(O5)C=CC(=C6)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC6=C(O5)C=CC(=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H24N8O5/c1-38-20-11-14(23-22-24(27)29-13-30-25(22)33(32-23)16-6-8-28-9-7-16)2-4-18(20)31-26(35)21-12-15-10-17(34(36)37)3-5-19(15)39-21/h2-5,10-13,16,28H,6-9H2,1H3,(H,31,35)(H2,27,29,30)