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

Systemtic Name: 2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(4-anilino-6-morpholino-s-triazin-2-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C21H21N7O4S MolecularWeight: 467.50094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O4S/c29-18(22-16-7-4-8-17(13-16)28(30)31)14-33-21-25-19(23-15-5-2-1-3-6-15)24-20(26-21)27-9-11-32-12-10-27/h1-8,13H,9-12,14H2,(H,22,29)(H,23,24,25,26)