1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one Formula: C26H36N6O MolecularWeight: 448.60364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C(C)(C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C(C)(C)C

InChI

InChI=1S/C26H36N6O/c1-6-7-14-21-27-23(30-15-11-16-31(18-17-30)25(33)26(3,4)5)22-19(2)29-32(24(22)28-21)20-12-9-8-10-13-20/h8-10,12-13H,6-7,11,14-18H2,1-5H3