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

Systemtic Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-[homoveratryl(methyl)amino]-6-isopropyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H29N3O5S/c1-15(2)18-13-22(26-24(25-18)33-14-17-7-9-20(32-17)23(28)29)27(3)11-10-16-6-8-19(30-4)21(12-16)31-5/h6-9,12-13,15H,10-11,14H2,1-5H3,(H,28,29)