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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-(3,4-dimethylphenyl)acetamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6OS/c1-13-8-9-16(10-14(13)2)22-18(27)12-28-11-17-24-19(21)26-20(25-17)23-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,22,27)(H3,21,23,24,25,26)