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

Systemtic Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-ethyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-ethyl-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H27N3O5S/c1-5-16-13-21(25-23(24-16)32-14-17-7-9-19(31-17)22(27)28)26(2)11-10-15-6-8-18(29-3)20(12-15)30-4/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,27,28)