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

Systemtic Name: methyl 7-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]heptanoate Openeye Name: methyl 7-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]heptanoate CAS Name: 7-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]heptanoate Traditional Name: 7-[1-methyl-7-(piperonylamino)-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]enanthic acid methyl ester Formula: C25H33N5O4 MolecularWeight: 467.56062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O4/c1-4-9-18-23-24(30(2)29-18)25(26-15-17-12-13-19-20(14-17)34-16-33-19)28-21(27-23)10-7-5-6-8-11-22(31)32-3/h12-14H,4-11,15-16H2,1-3H3,(H,26,27,28)