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

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-octan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-(1-methylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-octan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-octan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-methyl-1-(1-methylheptyl)-6-piperonyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N1C2=NC(=NC(=O)C2=C(N1)C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCC(C)N1C2=NC(=NC(=O)C2=C(N1)C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N4O3/c1-4-5-6-7-8-14(2)26-21-20(15(3)25-26)22(27)24-19(23-21)12-16-9-10-17-18(11-16)29-13-28-17/h9-11,14,25H,4-8,12-13H2,1-3H3