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

Systemtic Name: 2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]propanoic acid IUPAC Name: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4-anilino-6-morpholino-s-triazin-2-yl)thio]propionic acid Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C(=O)O)SC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C16H19N5O3S/c1-11(13(22)23)25-16-19-14(17-12-5-3-2-4-6-12)18-15(20-16)21-7-9-24-10-8-21/h2-6,11H,7-10H2,1H3,(H,22,23)(H,17,18,19,20)