2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-nitro-2-oxidanyl-phenyl)ethanamide

Systemtic Name: 2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-nitro-2-oxidanyl-phenyl)ethanamide Openeye Name: 2-[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-hydroxy-4-nitro-phenyl)acetamide CAS Name: 2-[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]-N-(2-hydroxy-4-nitrophenyl)acetamide IUPAC Name: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-hydroxy-4-nitrophenyl)acetamide Traditional Name: 2-[(4-anilino-6-morpholino-s-triazin-2-yl)thio]-N-(2-hydroxy-4-nitro-phenyl)acetamide Formula: C21H21N7O5S MolecularWeight: 483.50034

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O)NC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N7O5S/c29-17-12-15(28(31)32)6-7-16(17)23-18(30)13-34-21-25-19(22-14-4-2-1-3-5-14)24-20(26-21)27-8-10-33-11-9-27/h1-7,12,29H,8-11,13H2,(H,23,30)(H,22,24,25,26)