1-cyclopentyl-3-ethyl-6-[3-(1-methylazepan-3-yl)oxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-cyclopentyl-3-ethyl-6-[3-(1-methylazepan-3-yl)oxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-cyclopentyl-3-ethyl-6-[3-(1-methylazepan-3-yl)oxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-cyclopentyl-3-ethyl-6-[3-[(1-methyl-3-azepanyl)oxy]phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-cyclopentyl-3-ethyl-6-[3-(1-methylazepan-3-yl)oxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-cyclopentyl-3-ethyl-6-[3-(1-methylazepan-3-yl)oxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)C3=CC(=CC=C3)OC4CCCCN(C4)C)N(N1)C5CCCC5

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)C3=CC(=CC=C3)OC4CCCCN(C4)C)N(N1)C5CCCC5

InChI

InChI=1S/C25H33N5O2/c1-3-21-22-24(30(28-21)18-10-4-5-11-18)26-23(27-25(22)31)17-9-8-13-19(15-17)32-20-12-6-7-14-29(2)16-20/h8-9,13,15,18,20,28H,3-7,10-12,14,16H2,1-2H3