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

Systemtic Name: 5-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[5-(4-chlorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C18H15ClN2O4S MolecularWeight: 390.8407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(O2)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(O2)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O4S/c1-10-14(8-11-2-4-12(19)5-3-11)16(22)21-18(20-10)26-9-13-6-7-15(25-13)17(23)24/h2-7H,8-9H2,1H3,(H,23,24)(H,20,21,22)