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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N1)C)N=C(N=C2NCC3=CC4=C(C=C3)OCO4)CCCC(=O)O

Isomeric SMILES

CCN1C2=C(C(=N1)C)N=C(N=C2NCC3=CC4=C(C=C3)OCO4)CCCC(=O)O

InChI

InChI=1S/C20H23N5O4/c1-3-25-19-18(12(2)24-25)22-16(5-4-6-17(26)27)23-20(19)21-10-13-7-8-14-15(9-13)29-11-28-14/h7-9H,3-6,10-11H2,1-2H3,(H,26,27)(H,21,22,23)