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

Systemtic Name: cyclobutyl-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: cyclobutyl-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: cyclobutyl-[4-(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: cyclobutyl-[4-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: cyclobutyl-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5CCC5

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5CCC5

InChI

InChI=1S/C22H26N6O/c1-16-24-20(19-15-23-28(21(19)25-16)18-9-3-2-4-10-18)26-11-6-12-27(14-13-26)22(29)17-7-5-8-17/h2-4,9-10,15,17H,5-8,11-14H2,1H3