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

Systemtic Name: 4-[5-methyl-2-[(2-oxidanyl-1-phenyl-ethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-[(2-hydroxy-1-phenyl-ethyl)amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-[(2-hydroxy-1-phenylethyl)amino]-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-[(2-hydroxy-1-phenylethyl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-[(2-hydroxy-1-phenyl-ethyl)amino]-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)NC(CO)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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