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

Systemtic Name: N2-butyl-N4-methyl-6-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N2-butyl-N4-methyl-1,3,5-triazine-2,4-diamine CAS Name: N2-butyl-N4-methyl-6-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-2-N-butyl-4-N-methyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-[3-(benzylthio)-1,2,4-triazol-1-yl]-6-(butylamino)-s-triazin-2-yl]-methyl-amine Formula: C17H22N8S MolecularWeight: 370.47518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=N1)NC)N2C=NC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC(=NC(=N1)NC)N2C=NC(=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H22N8S/c1-3-4-10-19-15-21-14(18-2)22-16(23-15)25-12-20-17(24-25)26-11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,18,19,21,22,23)