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

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(5-phenylpentan-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(1-methyl-4-phenyl-butyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(5-phenylpentan-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(5-phenylpentan-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-ethyl-1-(1-methyl-4-phenyl-butyl)-6-piperonyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c1-3-20-24-25(30(29-20)17(2)8-7-11-18-9-5-4-6-10-18)27-23(28-26(24)31)15-19-12-13-21-22(14-19)33-16-32-21/h4-6,9-10,12-14,17,29H,3,7-8,11,15-16H2,1-2H3