1-cyclopentyl-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-cyclopentyl-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-cyclopentyl-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-cyclopentyl-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-cyclopentyl-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-cyclopentyl-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)CN3CCC4=CC=CC=C4C3)N(N1)C5CCCC5

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)CN3CCC4=CC=CC=C4C3)N(N1)C5CCCC5

InChI

InChI=1S/C22H27N5O/c1-2-18-20-21(27(25-18)17-9-5-6-10-17)23-19(24-22(20)28)14-26-12-11-15-7-3-4-8-16(15)13-26/h3-4,7-8,17,25H,2,5-6,9-14H2,1H3