5-(1,3-benzodioxol-5-ylmethyl)-2-cyclobutyl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-cyclobutyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-cyclobutyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-cyclobutyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-cyclobutylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-cyclobutyl-5-piperonyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C18H16N3O3- MolecularWeight: 322.33794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=NN3C(=C2)N=C(C=C3[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(C1)C2=NN3C(=C2)N=C(C=C3[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H17N3O3/c22-18-8-13(6-11-4-5-15-16(7-11)24-10-23-15)19-17-9-14(20-21(17)18)12-2-1-3-12/h4-5,7-9,12,22H,1-3,6,10H2/p-1