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

Systemtic Name: 3-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzoic acid Openeye Name: 3-[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]benzoic acid CAS Name: 3-[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]benzoic acid IUPAC Name: 3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid Traditional Name: 3-[(4-anilino-6-morpholino-s-triazin-2-yl)amino]benzoic acid Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C20H20N6O3/c27-17(28)14-5-4-8-16(13-14)22-19-23-18(21-15-6-2-1-3-7-15)24-20(25-19)26-9-11-29-12-10-26/h1-8,13H,9-12H2,(H,27,28)(H2,21,22,23,24,25)