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

Systemtic Name: 4-[2-[(2-ethylphenyl)amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(2-ethylanilino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-(2-ethylanilino)-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(2-ethylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(2-ethylanilino)-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:

CCC1=CC=CC=C1NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)O)C

InChI

InChI=1S/C18H18N4O2/c1-3-12-6-4-5-7-14(12)21-18-20-9-11(2)16(22-18)13-8-15(17(23)24)19-10-13/h4-10,19H,3H2,1-2H3,(H,23,24)(H,20,21,22)