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

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

CCC1=NN(C2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)CCCC(=O)O)C

Isomeric SMILES

CCC1=NN(C2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)CCCC(=O)O)C

InChI

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