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

Systemtic Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[4-(6-ethyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methyl-propan-1-one Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O/c1-5-19-24-21(27-12-9-13-28(15-14-27)23(30)16(2)3)20-17(4)26-29(22(20)25-19)18-10-7-6-8-11-18/h6-8,10-11,16H,5,9,12-15H2,1-4H3