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

Systemtic Name: 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]amine Formula: C12H18N8S MolecularWeight: 306.38992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C12H18N8S/c1-6(2)9-18-19-12(20(9)7-3-4-7)21-5-8-15-10(13)17-11(14)16-8/h6-7H,3-5H2,1-2H3,(H4,13,14,15,16,17)