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

Systemtic Name: 3-[2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(4-anilino-6-morpholino-s-triazin-2-yl)thio]acetyl]amino]benzoic acid Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O4S/c29-18(23-17-8-4-5-15(13-17)19(30)31)14-33-22-26-20(24-16-6-2-1-3-7-16)25-21(27-22)28-9-11-32-12-10-28/h1-8,13H,9-12,14H2,(H,23,29)(H,30,31)(H,24,25,26,27)