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

Systemtic Name: 2-chloranyl-5-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid Openeye Name: 2-chloro-5-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]benzoic acid CAS Name: 5-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-2-chlorobenzoic acid IUPAC Name: 2-chloro-5-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid Traditional Name: 2-chloro-5-[(4,6-dimorpholino-s-triazin-2-yl)amino]benzoic acid Formula: C18H21ClN6O4 MolecularWeight: 420.85014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN6O4/c19-14-2-1-12(11-13(14)15(26)27)20-16-21-17(24-3-7-28-8-4-24)23-18(22-16)25-5-9-29-10-6-25/h1-2,11H,3-10H2,(H,26,27)(H,20,21,22,23)