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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-3-methyl-coumarilamide Formula: C27H27N7O3 MolecularWeight: 497.54838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CCNCC6)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CCNCC6)OC

InChI

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