4,6-dimethyl-N-phenyl-pyrimidin-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; 4-methylbenzenesulfonic acid Openeye Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; 4-methylbenzenesulfonic acid CAS Name: 4,6-dimethyl-N-phenyl-2-pyrimidinamine; 4-methylbenzenesulfonic acid IUPAC Name: 4,6-dimethyl-N-phenylpyrimidin-2-amine; 4-methylbenzenesulfonic acid Traditional Name: (4,6-dimethylpyrimidin-2-yl)-phenyl-amine; tosylic acid Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=NC(=N1)NC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=NC(=N1)NC2=CC=CC=C2)C

InChI

InChI=1S/C12H13N3.C7H8O3S/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,1-2H3,(H,13,14,15);2-5H,1H3,(H,8,9,10)