1-[3-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[(4-amino-6-anilino-s-triazin-2-yl)methylthio]methyl]-4-methoxy-phenyl]ethanone Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-13(26)14-8-9-17(27-2)15(10-14)11-28-12-18-23-19(21)25-20(24-18)22-16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)