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

Systemtic Name: 4-[2-[(3-methoxyphenyl)amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(3-methoxyanilino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-(3-methoxyanilino)-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(3-methoxyanilino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(m-anisidino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C17H16N4O3/c1-10-8-19-17(20-12-4-3-5-13(7-12)24-2)21-15(10)11-6-14(16(22)23)18-9-11/h3-9,18H,1-2H3,(H,22,23)(H,19,20,21)