N-(5-acetamido-2-methoxy-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]acetamide Formula: C21H26N8O3 MolecularWeight: 438.48294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C21H26N8O3/c1-14(30)25-15-4-5-18(32-3)17(10-15)26-19(31)12-28-6-8-29(9-7-28)21-16-11-24-27(2)20(16)22-13-23-21/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,25,30)(H,26,31)