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

Systemtic Name: 3-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanoic acid Openeye Name: 3-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanoic acid CAS Name: 3-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]propanoic acid Traditional Name: 3-[1-methyl-7-(piperonylamino)-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propionic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4/c1-3-4-13-18-19(25(2)24-13)20(23-16(22-18)7-8-17(26)27)21-10-12-5-6-14-15(9-12)29-11-28-14/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,26,27)(H,21,22,23)