4-[[2-(2-methylpropylamino)phenyl]amino]-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[[2-(2-methylpropylamino)phenyl]amino]-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(isobutylamino)anilino]-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-[2-(2-methylpropylamino)anilino]-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(2-methylpropylamino)anilino]-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-[2-(isobutylamino)anilino]-2-phenyl-pyrimidine-5-carboxylic acid Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC=CC=C1NC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC1=CC=CC=C1NC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c1-14(2)12-22-17-10-6-7-11-18(17)24-20-16(21(26)27)13-23-19(25-20)15-8-4-3-5-9-15/h3-11,13-14,22H,12H2,1-2H3,(H,26,27)(H,23,24,25)