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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C)N3CCCN(CC3)C(=O)C4CCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C)N3CCCN(CC3)C(=O)C4CCC4)C5=CC=CC=C5

InChI

InChI=1S/C23H28N6O/c1-16-20-21(27-12-7-13-28(15-14-27)23(30)18-8-6-9-18)24-17(2)25-22(20)29(26-16)19-10-4-3-5-11-19/h3-5,10-11,18H,6-9,12-15H2,1-2H3