6-(1,3-benzodioxol-5-yl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-(1,3-benzodioxol-5-yl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-(1,3-benzodioxol-5-yl)-7-cyclohexyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 6-(1,3-benzodioxol-5-yl)-7-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-(1,3-benzodioxol-5-yl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H19N3O4/c24-20(25)15-10-22-23-18(12-4-2-1-3-5-12)14(9-21-19(15)23)13-6-7-16-17(8-13)27-11-26-16/h6-10,12H,1-5,11H2,(H,24,25)