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

Systemtic Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-methyl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-methylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-[homoveratryl(methyl)amino]-6-methyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H27N3O4S/c1-16-13-22(27(2)12-11-17-7-10-20(30-3)21(14-17)31-4)26-24(25-16)32-15-18-5-8-19(9-6-18)23(28)29/h5-10,13-14H,11-12,15H2,1-4H3,(H,28,29)