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

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-octan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(1-methylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-octan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-octan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-ethyl-1-(1-methylheptyl)-6-piperonyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-4-6-7-8-9-15(3)27-22-21(17(5-2)26-27)23(28)25-20(24-22)13-16-10-11-18-19(12-16)30-14-29-18/h10-12,15,26H,4-9,13-14H2,1-3H3