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

Systemtic Name: 5-[[4-tert-butyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-tert-butyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-tert-butyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-tert-butyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-tert-butyl-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H31N3O5S/c1-25(2,3)21-14-22(27-24(26-21)34-15-17-8-10-19(33-17)23(29)30)28(4)12-11-16-7-9-18(31-5)20(13-16)32-6/h7-10,13-14H,11-12,15H2,1-6H3,(H,29,30)