5-[6-butyl-2-(5-carboxythiophen-2-yl)pyrimidin-4-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[6-butyl-2-(5-carboxythiophen-2-yl)pyrimidin-4-yl]thiophene-2-carboxylic acid Openeye Name: 5-[6-butyl-2-(5-carboxy-2-thienyl)pyrimidin-4-yl]thiophene-2-carboxylic acid CAS Name: 5-[6-butyl-2-(5-carboxy-2-thiophenyl)-4-pyrimidinyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[6-butyl-2-(5-carboxythiophen-2-yl)pyrimidin-4-yl]thiophene-2-carboxylic acid Traditional Name: 5-[6-butyl-2-(5-carboxy-2-thienyl)pyrimidin-4-yl]-2-thenoic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC(=C1)C2=CC=C(S2)C(=O)O)C3=CC=C(S3)C(=O)O

Isomeric SMILES

CCCCC1=NC(=NC(=C1)C2=CC=C(S2)C(=O)O)C3=CC=C(S3)C(=O)O

InChI

InChI=1S/C18H16N2O4S2/c1-2-3-4-10-9-11(12-5-7-14(25-12)17(21)22)20-16(19-10)13-6-8-15(26-13)18(23)24/h5-9H,2-4H2,1H3,(H,21,22)(H,23,24)