4,6-dimethyl-N-phenyl-pyrimidin-2-amine; pyridine-3-carboxylic acid

Systemtic Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; pyridine-3-carboxylic acid Openeye Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; nicotinic acid CAS Name: 4,6-dimethyl-N-phenyl-2-pyrimidinamine; 3-pyridinecarboxylic acid IUPAC Name: 4,6-dimethyl-N-phenylpyrimidin-2-amine; pyridine-3-carboxylic acid Traditional Name: (4,6-dimethylpyrimidin-2-yl)-phenyl-amine; nicotinic acid Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3.C6H5NO2/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11;8-6(9)5-2-1-3-7-4-5/h3-8H,1-2H3,(H,13,14,15);1-4H,(H,8,9)