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

Systemtic Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; phenylphosphonic acid Openeye Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; phenylphosphonic acid CAS Name: 4,6-dimethyl-N-phenyl-2-pyrimidinamine; phenylphosphonic acid IUPAC Name: 4,6-dimethyl-N-phenylpyrimidin-2-amine; phenylphosphonic acid Traditional Name: (4,6-dimethylpyrimidin-2-yl)-phenyl-amine; phenylphosphonic acid Formula: C18H20N3O3P MolecularWeight: 357.343461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3.C6H7O3P/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11;7-10(8,9)6-4-2-1-3-5-6/h3-8H,1-2H3,(H,13,14,15);1-5H,(H2,7,8,9)