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

Systemtic Name: 4-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]benzoic acid Openeye Name: 4-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]benzoic acid CAS Name: 4-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]benzoic acid IUPAC Name: 4-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]benzoic acid Traditional Name: 4-[1-methyl-7-(piperonylamino)-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]benzoic acid Formula: C24H23N5O4 MolecularWeight: 445.47052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C(=O)O)C

Isomeric SMILES

CCCC1=NN(C2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C(=O)O)C

InChI

InChI=1S/C24H23N5O4/c1-3-4-17-20-21(29(2)28-17)23(25-12-14-5-10-18-19(11-14)33-13-32-18)27-22(26-20)15-6-8-16(9-7-15)24(30)31/h5-11H,3-4,12-13H2,1-2H3,(H,30,31)(H,25,26,27)