4-[7-(dipropylamino)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid

Systemtic Name: 4-[7-(dipropylamino)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid Openeye Name: 4-[7-(dipropylamino)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid CAS Name: 4-[7-(dipropylamino)-2,5-dimethyl-3-pyrazolo[1,5-a]pyrimidinyl]benzoic acid IUPAC Name: 4-[7-(dipropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid Traditional Name: 4-[7-(dipropylamino)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCCN(CCC)C1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H26N4O2/c1-5-11-24(12-6-2)18-13-14(3)22-20-19(15(4)23-25(18)20)16-7-9-17(10-8-16)21(26)27/h7-10,13H,5-6,11-12H2,1-4H3,(H,26,27)