4,6-dimethyl-1H-pyrimidine-2-thione; 2-methylbutan-2-yl hydrogen carbonate

Systemtic Name: 4,6-dimethyl-1H-pyrimidine-2-thione; 2-methylbutan-2-yl hydrogen carbonate Openeye Name: 1,1-dimethylpropyl hydrogen carbonate; 4,6-dimethyl-1H-pyrimidine-2-thione CAS Name: carbonic acid 2-methylbutan-2-yl ester; 4,6-dimethyl-1H-pyrimidine-2-thione IUPAC Name: 4,6-dimethyl-1H-pyrimidine-2-thione; 2-methylbutan-2-yl hydrogen carbonate Traditional Name: carbonic acid tert-amyl ester; 4,6-dimethyl-1H-pyrimidine-2-thione Formula: C12H20N2O3S MolecularWeight: 272.3638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)O.CC1=CC(=NC(=S)N1)C

Isomeric SMILES

CCC(C)(C)OC(=O)O.CC1=CC(=NC(=S)N1)C

InChI

InChI=1S/C6H8N2S.C6H12O3/c1-4-3-5(2)8-6(9)7-4;1-4-6(2,3)9-5(7)8/h3H,1-2H3,(H,7,8,9);4H2,1-3H3,(H,7,8)