6-(1,3-benzodioxol-5-ylmethyl)-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethyl)-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethyl)-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-ylmethyl)-1-(2-hydroxy-6-phenylhexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(1,3-benzodioxol-5-ylmethyl)-1-(2-hydroxy-6-phenylhexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-6-piperonyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C3=NC(=NC(=O)C3=CN2)CC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C3=NC(=NC(=O)C3=CN2)CC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H26N4O4/c1-16(30)20(9-5-8-17-6-3-2-4-7-17)29-24-19(14-26-29)25(31)28-23(27-24)13-18-10-11-21-22(12-18)33-15-32-21/h2-4,6-7,10-12,14,16,20,26,30H,5,8-9,13,15H2,1H3