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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)N4CCOCC4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)N4CCOCC4

InChI

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