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

Systemtic Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-phenyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-[homoveratryl(methyl)amino]-6-phenyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C27H27N3O5S/c1-30(14-13-18-9-11-22(33-2)24(15-18)34-3)25-16-21(19-7-5-4-6-8-19)28-27(29-25)36-17-20-10-12-23(35-20)26(31)32/h4-12,15-16H,13-14,17H2,1-3H3,(H,31,32)