N2-butyl-N4-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-butyl-N4-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine Openeye Name: N2-butyl-N4-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine CAS Name: N2-butyl-N4-ethyl-6-[3-(methylthio)-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-butyl-4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine Traditional Name: butyl-[4-(ethylamino)-6-[3-(methylthio)-1,2,4-triazol-1-yl]-s-triazin-2-yl]amine Formula: C12H20N8S MolecularWeight: 308.4058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=N1)NCC)N2C=NC(=N2)SC

Isomeric SMILES

CCCCNC1=NC(=NC(=N1)NCC)N2C=NC(=N2)SC

InChI

InChI=1S/C12H20N8S/c1-4-6-7-14-10-16-9(13-5-2)17-11(18-10)20-8-15-12(19-20)21-3/h8H,4-7H2,1-3H3,(H2,13,14,16,17,18)