3-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)oxy]benzoic acid

Systemtic Name: 3-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)oxy]benzoic acid Openeye Name: 3-[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)oxy]benzoic acid CAS Name: 3-[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid IUPAC Name: 3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid Traditional Name: 3-[(4-anilino-6-morpholino-s-triazin-2-yl)oxy]benzoic acid Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)OC3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)OC3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O4/c26-17(27)14-5-4-8-16(13-14)29-20-23-18(21-15-6-2-1-3-7-15)22-19(24-20)25-9-11-28-12-10-25/h1-8,13H,9-12H2,(H,26,27)(H,21,22,23,24)