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

Systemtic Name: 5-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(4-chlorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]methyl]-2-furoate Formula: C18H14ClN2O4S- MolecularWeight: 389.83276

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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)/p-1