4-[2-[(2,3-dimethylphenyl)amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-[(2,3-dimethylphenyl)amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(2,3-dimethylanilino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-(2,3-dimethylanilino)-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(2,3-dimethylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(2,3-dimethylanilino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)O)C)C

InChI

InChI=1S/C18H18N4O2/c1-10-5-4-6-14(12(10)3)21-18-20-8-11(2)16(22-18)13-7-15(17(23)24)19-9-13/h4-9,19H,1-3H3,(H,23,24)(H,20,21,22)