1-(3,5-dimethoxyphenyl)-N-methyl-methanamine; 4-(2-methylphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 1-(3,5-dimethoxyphenyl)-N-methyl-methanamine; 4-(2-methylphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 1-(3,5-dimethoxyphenyl)-N-methyl-methanamine; 4-(2-methylphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 1-(3,5-dimethoxyphenyl)-N-methylmethanamine; 4-(2-methylphenoxy)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 1-(3,5-dimethoxyphenyl)-N-methylmethanamine; 4-(2-methylphenoxy)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: (3,5-dimethoxybenzyl)-methyl-amine; 4-(2-methylphenoxy)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)SC.CNCC1=CC(=CC(=C1)OC)OC

Isomeric SMILES

CC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)SC.CNCC1=CC(=CC(=C1)OC)OC

InChI

InChI=1S/C13H12N2O3S.C10H15NO2/c1-8-5-3-4-6-10(8)18-11-9(12(16)17)7-14-13(15-11)19-2;1-11-7-8-4-9(12-2)6-10(5-8)13-3/h3-7H,1-2H3,(H,16,17);4-6,11H,7H2,1-3H3