2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]thiophene-3-carboxylic acid

Systemtic Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]thiophene-3-carboxylic acid Openeye Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxo-pyrimidin-1-yl]methyl]thiophene-3-carboxylic acid CAS Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxo-1-pyrimidinyl]methyl]-3-thiophenecarboxylic acid IUPAC Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxopyrimidin-1-yl]methyl]thiophene-3-carboxylic acid Traditional Name: 2-[[4-butyl-5-[4-(2-carboxyphenyl)benzyl]-6-keto-2-methyl-pyrimidin-1-yl]methyl]-3-thenoic acid Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(C(=N1)C)CC2=C(C=CS2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)N(C(=N1)C)CC2=C(C=CS2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H28N2O5S/c1-3-4-9-25-24(27(32)31(18(2)30-25)17-26-23(29(35)36)14-15-37-26)16-19-10-12-20(13-11-19)21-7-5-6-8-22(21)28(33)34/h5-8,10-15H,3-4,9,16-17H2,1-2H3,(H,33,34)(H,35,36)