6-(3,4-dimethylphenyl)-2-pyrrolidin-1-yl-pyrimidine-4-carboxylic acid

Systemtic Name: 6-(3,4-dimethylphenyl)-2-pyrrolidin-1-yl-pyrimidine-4-carboxylic acid Openeye Name: 6-(3,4-dimethylphenyl)-2-pyrrolidin-1-yl-pyrimidine-4-carboxylic acid CAS Name: 6-(3,4-dimethylphenyl)-2-(1-pyrrolidinyl)-4-pyrimidinecarboxylic acid IUPAC Name: 6-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid Traditional Name: 6-(3,4-dimethylphenyl)-2-pyrrolidino-pyrimidine-4-carboxylic acid Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCCC3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCCC3)C(=O)O)C

InChI

InChI=1S/C17H19N3O2/c1-11-5-6-13(9-12(11)2)14-10-15(16(21)22)19-17(18-14)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,22)