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

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(1-tert-butyltetrazol-5-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C12H14N6OS2 MolecularWeight: 322.40916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C12H14N6OS2/c1-12(2,3)18-11(15-16-17-18)21-6-8-13-7-4-5-20-9(7)10(19)14-8/h4-5H,6H2,1-3H3,(H,13,14,19)