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

Systemtic Name: 6-chloranylpyridine-3-carboxylic acid; 4,6-dimethyl-N-phenyl-pyrimidin-2-amine Openeye Name: 6-chloropyridine-3-carboxylic acid; 4,6-dimethyl-N-phenyl-pyrimidin-2-amine CAS Name: 6-chloro-3-pyridinecarboxylic acid; 4,6-dimethyl-N-phenyl-2-pyrimidinamine IUPAC Name: 6-chloropyridine-3-carboxylic acid; 4,6-dimethyl-N-phenylpyrimidin-2-amine Traditional Name: 6-chloronicotinic acid; (4,6-dimethylpyrimidin-2-yl)-phenyl-amine Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=CC=C2)C.C1=CC(=NC=C1C(=O)O)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=CC=C2)C.C1=CC(=NC=C1C(=O)O)Cl

InChI

InChI=1S/C12H13N3.C6H4ClNO2/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11;7-5-2-1-4(3-8-5)6(9)10/h3-8H,1-2H3,(H,13,14,15);1-3H,(H,9,10)