5-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-2-thenoic acid Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(S2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(S2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3S2/c1-11-14(9-12-5-3-2-4-6-12)16(21)20-18(19-11)24-10-13-7-8-15(25-13)17(22)23/h2-8H,9-10H2,1H3,(H,22,23)(H,19,20,21)