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

Systemtic Name: 4-[5-methyl-2-[(2-methylphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[5-methyl-2-(2-methylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[5-methyl-2-(2-methylanilino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[5-methyl-2-(2-methylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[5-methyl-2-(o-toluidino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)O)C

InChI

InChI=1S/C17H16N4O2/c1-10-5-3-4-6-13(10)20-17-19-8-11(2)15(21-17)12-7-14(16(22)23)18-9-12/h3-9,18H,1-2H3,(H,22,23)(H,19,20,21)