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

Systemtic Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2-methoxyethanone IUPAC Name: 1-[4-(6-ethyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethanone Traditional Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxy-ethanone Formula: C22H28N6O2 MolecularWeight: 408.49672

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O2/c1-4-18-23-21(27-12-8-11-26(13-14-27)19(29)15-30-3)20-16(2)25-28(22(20)24-18)17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-15H2,1-3H3