3-ethyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-6-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-6-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-benzyl-3-ethyl-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-ethyl-1-(2-hydroxy-6-phenylhexan-3-yl)-6-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-benzyl-3-ethyl-1-(2-hydroxy-6-phenylhexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-benzyl-3-ethyl-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)CC3=CC=CC=C3)N(N1)C(CCCC4=CC=CC=C4)C(C)O

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)CC3=CC=CC=C3)N(N1)C(CCCC4=CC=CC=C4)C(C)O

InChI

InChI=1S/C26H30N4O2/c1-3-21-24-25(27-23(28-26(24)32)17-20-13-8-5-9-14-20)30(29-21)22(18(2)31)16-10-15-19-11-6-4-7-12-19/h4-9,11-14,18,22,29,31H,3,10,15-17H2,1-2H3