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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H24N6O4S/c1-29-15-9-14(10-16(30-2)19(15)31-3)23-18(28)12-32-11-17-25-20(22)27-21(26-17)24-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,23,28)(H3,22,24,25,26,27)