4,6-dimethyl-N-phenyl-pyrimidin-2-amine; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonic acid

Systemtic Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonic acid Openeye Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; 4,7,7-trimethyl-3-oxo-norbornane-2-sulfonic acid CAS Name: 4,6-dimethyl-N-phenyl-2-pyrimidinamine; 4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanesulfonic acid IUPAC Name: 4,6-dimethyl-N-phenylpyrimidin-2-amine; 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid Traditional Name: (4,6-dimethylpyrimidin-2-yl)-phenyl-amine; 3-keto-4,7,7-trimethyl-norbornane-2-sulfonic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=CC=C2)C.CC1(C2CCC1(C(=O)C2S(=O)(=O)O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=CC=C2)C.CC1(C2CCC1(C(=O)C2S(=O)(=O)O)C)C

InChI

InChI=1S/C12H13N3.C10H16O4S/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11;1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h3-8H,1-2H3,(H,13,14,15);6-7H,4-5H2,1-3H3,(H,12,13,14)