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

Systemtic Name: 4-[2-[(2,3-dimethoxyphenyl)amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(2,3-dimethoxyanilino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-(2,3-dimethoxyanilino)-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(2,3-dimethoxyanilino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(2,3-dimethoxyanilino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4/c1-10-8-20-18(21-12-5-4-6-14(25-2)16(12)26-3)22-15(10)11-7-13(17(23)24)19-9-11/h4-9,19H,1-3H3,(H,23,24)(H,20,21,22)