2-butyl-3-[[3-(3-ethoxy-3-oxidanylidene-propyl)-2-phenyl-imidazo[1,2-a]pyrimidin-7-yl]methyl]-5-methylsulfanyl-2H-imidazole-1-carboxylic acid

Systemtic Name: 2-butyl-3-[[3-(3-ethoxy-3-oxidanylidene-propyl)-2-phenyl-imidazo[1,2-a]pyrimidin-7-yl]methyl]-5-methylsulfanyl-2H-imidazole-1-carboxylic acid Openeye Name: 2-butyl-3-[[3-(3-ethoxy-3-oxo-propyl)-2-phenyl-imidazo[1,2-a]pyrimidin-7-yl]methyl]-5-methylsulfanyl-2H-imidazole-1-carboxylic acid CAS Name: 2-butyl-3-[[3-(3-ethoxy-3-oxopropyl)-2-phenyl-7-imidazo[1,2-a]pyrimidinyl]methyl]-5-(methylthio)-2H-imidazole-1-carboxylic acid IUPAC Name: 2-butyl-3-[[3-(3-ethoxy-3-oxopropyl)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]methyl]-5-methylsulfanyl-2H-imidazole-1-carboxylic acid Traditional Name: 2-butyl-3-[[3-(3-ethoxy-3-keto-propyl)-2-phenyl-imidazo[1,2-a]pyrimidin-7-yl]methyl]-5-(methylthio)-4-imidazoline-1-carboxylic acid Formula: C27H33N5O4S MolecularWeight: 523.64702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1C(=O)O)SC)CC2=NC3=NC(=C(N3C=C2)CCC(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCC1N(C=C(N1C(=O)O)SC)CC2=NC3=NC(=C(N3C=C2)CCC(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O4S/c1-4-6-12-22-30(18-23(37-3)32(22)27(34)35)17-20-15-16-31-21(13-14-24(33)36-5-2)25(29-26(31)28-20)19-10-8-7-9-11-19/h7-11,15-16,18,22H,4-6,12-14,17H2,1-3H3,(H,34,35)