[4-[bis(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[bis(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[bis(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[bis(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl] ester IUPAC Name: [4-[bis(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[bis(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)methyl]phenyl] ester Formula: C23H18N4O6S2 MolecularWeight: 510.54222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C(C3=C(NC(=S)NC3=O)O)C4=C(NC(=S)NC4=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C(C3=C(NC(=S)NC3=O)O)C4=C(NC(=S)NC4=O)O

InChI

InChI=1S/C23H18N4O6S2/c1-10-3-2-4-12(9-10)21(32)33-13-7-5-11(6-8-13)14(15-17(28)24-22(34)25-18(15)29)16-19(30)26-23(35)27-20(16)31/h2-9,14H,1H3,(H3,24,25,28,29,34)(H3,26,27,30,31,35)