5-[4-oxidanylidene-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]pentanoic acid

Systemtic Name: 5-[4-oxidanylidene-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]pentanoic acid Openeye Name: 5-[4-oxo-2-thioxo-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]pentanoic acid CAS Name: 5-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]pentanoic acid IUPAC Name: 5-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]pentanoic acid Traditional Name: 5-[4-keto-2-thioxo-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]valeric acid Formula: C18H22N2O6S MolecularWeight: 394.44208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)NC(=S)N2)CCCCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)NC(=S)N2)CCCCC(=O)O

InChI

InChI=1S/C18H22N2O6S/c1-24-12-8-10(9-13(25-2)16(12)26-3)15-11(6-4-5-7-14(21)22)17(23)20-18(27)19-15/h8-9H,4-7H2,1-3H3,(H,21,22)(H2,19,20,23,27)