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

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(2-hydroxy-6-phenylhexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(2-hydroxy-6-phenylhexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-ethyl-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-6-piperonyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)CC3=CC4=C(C=C3)OCO4)N(N1)C(CCCC5=CC=CC=C5)C(C)O

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)CC3=CC4=C(C=C3)OCO4)N(N1)C(CCCC5=CC=CC=C5)C(C)O

InChI

InChI=1S/C27H30N4O4/c1-3-20-25-26(31(30-20)21(17(2)32)11-7-10-18-8-5-4-6-9-18)28-24(29-27(25)33)15-19-12-13-22-23(14-19)35-16-34-22/h4-6,8-9,12-14,17,21,30,32H,3,7,10-11,15-16H2,1-2H3