3-[[4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenyl-propanamide

Systemtic Name: 3-[[4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenyl-propanamide Openeye Name: 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenyl-propanamide CAS Name: 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methylthio]-N-phenylpropanamide IUPAC Name: 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide Traditional Name: 3-[[4-amino-6-(o-anisidino)-s-triazin-2-yl]methylthio]-N-phenyl-propionamide Formula: C20H22N6O2S MolecularWeight: 410.49268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N6O2S/c1-28-16-10-6-5-9-15(16)23-20-25-17(24-19(21)26-20)13-29-12-11-18(27)22-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,22,27)(H3,21,23,24,25,26)