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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-benzyl-acetamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-benzylacetamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-benzyl-acetamide Formula: C19H20N6OS MolecularWeight: 380.4667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6OS/c20-18-23-16(24-19(25-18)22-15-9-5-2-6-10-15)12-27-13-17(26)21-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,21,26)(H3,20,22,23,24,25)