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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-(2,6-diethylphenyl)acetamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C22H26N6OS/c1-3-15-9-8-10-16(4-2)20(15)27-19(29)14-30-13-18-25-21(23)28-22(26-18)24-17-11-6-5-7-12-17/h5-12H,3-4,13-14H2,1-2H3,(H,27,29)(H3,23,24,25,26,28)