6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C13H19N5O2S MolecularWeight: 309.38726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=CC(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=CC(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H19N5O2S/c1-13(2,3)10-14-11(16-15-10)21-7-8-6-9(19)18(5)12(20)17(8)4/h6H,7H2,1-5H3,(H,14,15,16)