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

Systemtic Name: 4-[2-[2-hydroxyethyl(phenyl)amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-[N-(2-hydroxyethyl)anilino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-[N-(2-hydroxyethyl)anilino]-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-[N-(2-hydroxyethyl)anilino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-[N-(2-hydroxyethyl)anilino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3/c1-12-10-20-18(22(7-8-23)14-5-3-2-4-6-14)21-16(12)13-9-15(17(24)25)19-11-13/h2-6,9-11,19,23H,7-8H2,1H3,(H,24,25)