2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-(3-homoveratryl-4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)acetic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=S)N1)CCC2=CC(=C(C=C2)OC)OC)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(C(=S)N1)CCC2=CC(=C(C=C2)OC)OC)CC(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-10-12(9-15(20)21)16(22)19(17(25)18-10)7-6-11-4-5-13(23-2)14(8-11)24-3/h4-5,8H,6-7,9H2,1-3H3,(H,18,25)(H,20,21)