7-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]heptanoic acid

Systemtic Name: 7-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]heptanoic acid Openeye Name: 7-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]heptanoic acid CAS Name: 7-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]heptanoic acid IUPAC Name: 7-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]heptanoic acid Traditional Name: 7-[1-methyl-7-(piperonylamino)-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]enanthic acid Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)CCCCCCC(=O)O)C

Isomeric SMILES

CCCC1=NN(C2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)CCCCCCC(=O)O)C

InChI

InChI=1S/C24H31N5O4/c1-3-8-17-22-23(29(2)28-17)24(25-14-16-11-12-18-19(13-16)33-15-32-18)27-20(26-22)9-6-4-5-7-10-21(30)31/h11-13H,3-10,14-15H2,1-2H3,(H,30,31)(H,25,26,27)