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

Systemtic Name: methyl 5-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]pentanoate Openeye Name: methyl 5-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]pentanoate CAS Name: 5-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[7-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]pentanoate Traditional Name: 5-[1-methyl-7-(piperonylamino)-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]valeric acid methyl ester Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4/c1-4-7-16-21-22(28(2)27-16)23(26-19(25-21)8-5-6-9-20(29)30-3)24-13-15-10-11-17-18(12-15)32-14-31-17/h10-12H,4-9,13-14H2,1-3H3,(H,24,25,26)