4-[[5-azanyl-6-[ethyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-azanyl-6-[ethyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-(N-ethyl-3-methylanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]amino]benzoic acid Formula: C20H21N5O2 MolecularWeight: 363.41304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H21N5O2/c1-3-25(16-6-4-5-13(2)11-16)19-17(21)18(22-12-23-19)24-15-9-7-14(8-10-15)20(26)27/h4-12H,3,21H2,1-2H3,(H,26,27)(H,22,23,24)