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

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethyl)-1-decan-4-yl-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-propyl-1-(1-propylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-ylmethyl)-1-decan-4-yl-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(1,3-benzodioxol-5-ylmethyl)-1-decan-4-yl-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-piperonyl-3-propyl-1-(1-propylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O3/c1-4-7-8-9-12-19(10-5-2)30-25-24(20(29-30)11-6-3)26(31)28-23(27-25)16-18-13-14-21-22(15-18)33-17-32-21/h13-15,19,29H,4-12,16-17H2,1-3H3