2-[7-[(2-butyl-5-ethoxycarbonyl-4-methylsulfinyl-imidazol-1-yl)methyl]-2-phenyl-imidazo[1,2-a]pyrimidin-3-yl]propanoic acid

Systemtic Name: 2-[7-[(2-butyl-5-ethoxycarbonyl-4-methylsulfinyl-imidazol-1-yl)methyl]-2-phenyl-imidazo[1,2-a]pyrimidin-3-yl]propanoic acid Openeye Name: 2-[7-[(2-butyl-5-ethoxycarbonyl-4-methylsulfinyl-imidazol-1-yl)methyl]-2-phenyl-imidazo[1,2-a]pyrimidin-3-yl]propanoic acid CAS Name: 2-[7-[(2-butyl-5-ethoxycarbonyl-4-methylsulfinyl-1-imidazolyl)methyl]-2-phenyl-3-imidazo[1,2-a]pyrimidinyl]propanoic acid IUPAC Name: 2-[7-[(2-butyl-5-ethoxycarbonyl-4-methylsulfinylimidazol-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-yl]propanoic acid Traditional Name: 2-[7-[(2-butyl-5-carbethoxy-4-methylsulfinyl-imidazol-1-yl)methyl]-2-phenyl-imidazo[1,2-a]pyrimidin-3-yl]propionic acid Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O5S/c1-5-7-13-20-29-24(38(4)36)23(26(35)37-6-2)32(20)16-19-14-15-31-22(17(3)25(33)34)21(30-27(31)28-19)18-11-9-8-10-12-18/h8-12,14-15,17H,5-7,13,16H2,1-4H3,(H,33,34)