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

Systemtic Name: 2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dimethylphenyl)propanamide Openeye Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dimethylphenyl)propanamide CAS Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylthio]-N-(2,6-dimethylphenyl)propanamide IUPAC Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dimethylphenyl)propanamide Traditional Name: 2-[1-(4-amino-6-anilino-s-triazin-2-yl)ethylthio]-N-(2,6-dimethylphenyl)propionamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC(C)C2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC(C)C2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C22H26N6OS/c1-13-9-8-10-14(2)18(13)25-20(29)16(4)30-15(3)19-26-21(23)28-22(27-19)24-17-11-6-5-7-12-17/h5-12,15-16H,1-4H3,(H,25,29)(H3,23,24,26,27,28)