5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-methyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-[homoveratryl(methyl)amino]-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N3O5S/c1-14-11-20(24-22(23-14)31-13-16-6-8-18(30-16)21(26)27)25(2)10-9-15-5-7-17(28-3)19(12-15)29-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,26,27)