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

Systemtic Name: 1-(3,5-dimethylphenyl)-N-methyl-methanamine; 4-(2-methylphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 1-(3,5-dimethylphenyl)-N-methyl-methanamine; 4-(2-methylphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 1-(3,5-dimethylphenyl)-N-methylmethanamine; 4-(2-methylphenoxy)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 1-(3,5-dimethylphenyl)-N-methylmethanamine; 4-(2-methylphenoxy)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: (3,5-dimethylbenzyl)-methyl-amine; 4-(2-methylphenoxy)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)SC.CC1=CC(=CC(=C1)CNC)C

Isomeric SMILES

CC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)SC.CC1=CC(=CC(=C1)CNC)C

InChI

InChI=1S/C13H12N2O3S.C10H15N/c1-8-5-3-4-6-10(8)18-11-9(12(16)17)7-14-13(15-11)19-2;1-8-4-9(2)6-10(5-8)7-11-3/h3-7H,1-2H3,(H,16,17);4-6,11H,7H2,1-3H3