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

Systemtic Name: 5-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]pentanoic acid Openeye Name: 5-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]pentanoic acid CAS Name: 5-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]pentanoic acid IUPAC Name: 5-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]pentanoic acid Traditional Name: 5-[1-methyl-7-(piperonylamino)-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]valeric acid Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-3-6-15-20-21(27(2)26-15)22(25-18(24-20)7-4-5-8-19(28)29)23-12-14-9-10-16-17(11-14)31-13-30-16/h9-11H,3-8,12-13H2,1-2H3,(H,28,29)(H,23,24,25)