N2-butyl-N4-methyl-6-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-butyl-N4-methyl-6-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-butyl-N4-methyl-6-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine CAS Name: N2-butyl-N4-methyl-6-[3-(2-phenoxyethylthio)-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-butyl-4-N-methyl-6-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine Traditional Name: butyl-[4-(methylamino)-6-[3-(2-phenoxyethylthio)-1,2,4-triazol-1-yl]-s-triazin-2-yl]amine Formula: C18H24N8OS MolecularWeight: 400.50116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=N1)NC)N2C=NC(=N2)SCCOC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC(=NC(=N1)NC)N2C=NC(=N2)SCCOC3=CC=CC=C3

InChI

InChI=1S/C18H24N8OS/c1-3-4-10-20-16-22-15(19-2)23-17(24-16)26-13-21-18(25-26)28-12-11-27-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H2,19,20,22,23,24)