N-cyclopropyl-4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide Formula: C28H32N8O MolecularWeight: 496.60668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)N6CCCN(CC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)N6CCCN(CC6)C

InChI

InChI=1S/C28H32N8O/c1-19-9-10-20(27(37)30-21-11-12-21)17-24(19)31-25-23-18-29-36(22-7-4-3-5-8-22)26(23)33-28(32-25)35-14-6-13-34(2)15-16-35/h3-5,7-10,17-18,21H,6,11-16H2,1-2H3,(H,30,37)(H,31,32,33)