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

Systemtic Name: 2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylthio]-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 2-[1-(4-amino-6-anilino-s-triazin-2-yl)ethylthio]-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C21H23ClN6OS MolecularWeight: 442.96492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC(C)C2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC(C)C2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H23ClN6OS/c1-12-16(22)10-7-11-17(12)25-19(29)14(3)30-13(2)18-26-20(23)28-21(27-18)24-15-8-5-4-6-9-15/h4-11,13-14H,1-3H3,(H,25,29)(H3,23,24,26,27,28)