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

Systemtic Name: 2H-chromene-3-carboxylic acid; 4,6-dimethyl-N-phenyl-pyrimidin-2-amine Openeye Name: 2H-chromene-3-carboxylic acid; 4,6-dimethyl-N-phenyl-pyrimidin-2-amine CAS Name: 2H-1-benzopyran-3-carboxylic acid; 4,6-dimethyl-N-phenyl-2-pyrimidinamine IUPAC Name: 2H-chromene-3-carboxylic acid; 4,6-dimethyl-N-phenylpyrimidin-2-amine Traditional Name: 2H-chromene-3-carboxylic acid; (4,6-dimethylpyrimidin-2-yl)-phenyl-amine Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=CC=C2)C.C1C(=CC2=CC=CC=C2O1)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=CC=C2)C.C1C(=CC2=CC=CC=C2O1)C(=O)O

InChI

InChI=1S/C12H13N3.C10H8O3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11;11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h3-8H,1-2H3,(H,13,14,15);1-5H,6H2,(H,11,12)