4-[[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzoic acid

Systemtic Name: 4-[[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzoic acid Openeye Name: 4-[[4-(4-butyl-6-morpholino-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzoic acid CAS Name: 4-[[[4-[4-butyl-6-(4-morpholinyl)-1,3,5-triazin-2-yl]anilino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzoic acid Traditional Name: 4-[[4-(4-butyl-6-morpholino-s-triazin-2-yl)phenyl]carbamoylamino]benzoic acid Formula: C25H28N6O4 MolecularWeight: 476.52762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC(=N1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(=O)O)N4CCOCC4

Isomeric SMILES

CCCCC1=NC(=NC(=N1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(=O)O)N4CCOCC4

InChI

InChI=1S/C25H28N6O4/c1-2-3-4-21-28-22(30-24(29-21)31-13-15-35-16-14-31)17-5-9-19(10-6-17)26-25(34)27-20-11-7-18(8-12-20)23(32)33/h5-12H,2-4,13-16H2,1H3,(H,32,33)(H2,26,27,34)