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

Systemtic Name: methyl 3-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanoate Openeye Name: methyl 3-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanoate CAS Name: 3-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]propanoate Traditional Name: 3-[1-methyl-7-(piperonylamino)-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propionic acid methyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-4-5-14-19-20(26(2)25-14)21(24-17(23-19)8-9-18(27)28-3)22-11-13-6-7-15-16(10-13)30-12-29-15/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,22,23,24)