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

Systemtic Name: 6-ethanoyl-5-methyl-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[[(1-methyl-5-tetrazolyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[[(1-methyltetrazol-5-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C12H12N6O2S2 MolecularWeight: 336.39268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O2S2/c1-5-8-10(20)13-7(4-21-12-15-16-17-18(12)3)14-11(8)22-9(5)6(2)19/h4H2,1-3H3,(H,13,14,20)