N2-phenyl-6-[1-(quinolin-8-ylmethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-phenyl-6-[1-(quinolin-8-ylmethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-phenyl-6-[1-(8-quinolylmethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[1-(8-quinolinylmethylthio)ethyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-phenyl-6-[1-(quinolin-8-ylmethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[1-(8-quinolylmethylthio)ethyl]-s-triazin-2-yl]-phenyl-amine Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H20N6S/c1-14(28-13-16-8-5-7-15-9-6-12-23-18(15)16)19-25-20(22)27-21(26-19)24-17-10-3-2-4-11-17/h2-12,14H,13H2,1H3,(H3,22,24,25,26,27)