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

Systemtic Name: methyl 4-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]benzoate Openeye Name: methyl 4-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]benzoate CAS Name: 4-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]benzoate Traditional Name: 4-[1-methyl-7-(piperonylamino)-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]benzoic acid methyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C(=O)OC)C

Isomeric SMILES

CCCC1=NN(C2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C(=O)OC)C

InChI

InChI=1S/C25H25N5O4/c1-4-5-18-21-22(30(2)29-18)24(26-13-15-6-11-19-20(12-15)34-14-33-19)28-23(27-21)16-7-9-17(10-8-16)25(31)32-3/h6-12H,4-5,13-14H2,1-3H3,(H,26,27,28)