6-methyl-4-oxidanylidene-2-(3-thiophen-2-ylpropyl)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-oxidanylidene-2-(3-thiophen-2-ylpropyl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-oxo-2-[3-(2-thienyl)propyl]-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-oxo-2-(3-thiophen-2-ylpropyl)-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-oxo-2-(3-thiophen-2-ylpropyl)-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-keto-6-methyl-2-[3-(2-thienyl)propyl]-1H-pyrimidine-5-carboxylic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)CCCC2=CC=CS2)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)CCCC2=CC=CS2)C(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-8-11(13(17)18)12(16)15-10(14-8)6-2-4-9-5-3-7-19-9/h3,5,7H,2,4,6H2,1H3,(H,17,18)(H,14,15,16)