7-[(2-butyl-4-carboxy-5-methylsulfanyl-imidazol-1-yl)methyl]-2-phenyl-imidazo[1,2-a]pyrimidine-3-carboxylic acid

Systemtic Name: 7-[(2-butyl-4-carboxy-5-methylsulfanyl-imidazol-1-yl)methyl]-2-phenyl-imidazo[1,2-a]pyrimidine-3-carboxylic acid Openeye Name: 7-[(2-butyl-4-carboxy-5-methylsulfanyl-imidazol-1-yl)methyl]-2-phenyl-imidazo[1,2-a]pyrimidine-3-carboxylic acid CAS Name: 7-[[2-butyl-4-carboxy-5-(methylthio)-1-imidazolyl]methyl]-2-phenyl-3-imidazo[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 7-[(2-butyl-4-carboxy-5-methylsulfanylimidazol-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid Traditional Name: 7-[[2-butyl-4-carboxy-5-(methylthio)imidazol-1-yl]methyl]-2-phenyl-imidazo[1,2-a]pyrimidine-3-carboxylic acid Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=NC3=NC(=C(N3C=C2)C(=O)O)C4=CC=CC=C4)SC)C(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=NC3=NC(=C(N3C=C2)C(=O)O)C4=CC=CC=C4)SC)C(=O)O

InChI

InChI=1S/C23H23N5O4S/c1-3-4-10-16-25-18(21(29)30)20(33-2)28(16)13-15-11-12-27-19(22(31)32)17(26-23(27)24-15)14-8-6-5-7-9-14/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,29,30)(H,31,32)