2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[[(1-tert-butyltetrazol-5-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C15H18N6O2S2 MolecularWeight: 378.47242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=NN3C(C)(C)C)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=NN3C(C)(C)C)C(=O)C

InChI

InChI=1S/C15H18N6O2S2/c1-7-10-12(23)16-9(17-13(10)25-11(7)8(2)22)6-24-14-18-19-20-21(14)15(3,4)5/h6H2,1-5H3,(H,16,17,23)