cyclopropyl-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclopropyl-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: cyclopropyl-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: cyclopropyl-[4-(6-ethyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopropyl-[4-(6-ethyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: cyclopropyl-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C23H28N6O MolecularWeight: 404.50802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C5CC5

Isomeric SMILES

CCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C23H28N6O/c1-3-19-24-21(27-12-7-13-28(15-14-27)23(30)17-10-11-17)20-16(2)26-29(22(20)25-19)18-8-5-4-6-9-18/h4-6,8-9,17H,3,7,10-15H2,1-2H3