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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C20H21ClN6OS MolecularWeight: 428.93834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C20H21ClN6OS/c1-12-15(21)9-6-10-16(12)24-18(28)13(2)29-11-17-25-19(22)27-20(26-17)23-14-7-4-3-5-8-14/h3-10,13H,11H2,1-2H3,(H,24,28)(H3,22,23,25,26,27)