2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-bromophenyl)propanamide

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-bromophenyl)propanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-bromophenyl)propanamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(3-bromophenyl)propanamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-bromophenyl)propanamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-(3-bromophenyl)propionamide Formula: C19H19BrN6OS MolecularWeight: 459.36276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Br)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C19H19BrN6OS/c1-12(17(27)22-15-9-5-6-13(20)10-15)28-11-16-24-18(21)26-19(25-16)23-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,22,27)(H3,21,23,24,25,26)