2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid

Systemtic Name: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid Openeye Name: 2-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]benzoic acid CAS Name: 2-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]benzoic acid IUPAC Name: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid Traditional Name: 2-[(4,6-dimorpholino-s-triazin-2-yl)amino]benzoic acid Formula: C18H22N6O4 MolecularWeight: 386.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC=C3C(=O)O)N4CCOCC4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC=C3C(=O)O)N4CCOCC4

InChI

InChI=1S/C18H22N6O4/c25-15(26)13-3-1-2-4-14(13)19-16-20-17(23-5-9-27-10-6-23)22-18(21-16)24-7-11-28-12-8-24/h1-4H,5-12H2,(H,25,26)(H,19,20,21,22)