6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]amine Formula: C12H16N8S MolecularWeight: 304.37404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C12H16N8S/c13-10-15-8(16-11(14)17-10)5-21-12-19-18-9(6-1-2-6)20(12)7-3-4-7/h6-7H,1-5H2,(H4,13,14,15,16,17)