2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C19H19FN6OS MolecularWeight: 398.457163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)F

InChI

InChI=1S/C19H19FN6OS/c1-12-7-8-15(14(20)9-12)23-17(27)11-28-10-16-24-18(21)26-19(25-16)22-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,23,27)(H3,21,22,24,25,26)