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

Systemtic Name: 2-[(1-cyclopropyl-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-cyclopropyltetrazol-5-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C14H14N6O2S2 MolecularWeight: 362.42996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=NN3C4CC4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=NN3C4CC4)C(=O)C

InChI

InChI=1S/C14H14N6O2S2/c1-6-10-12(22)15-9(16-13(10)24-11(6)7(2)21)5-23-14-17-18-19-20(14)8-3-4-8/h8H,3-5H2,1-2H3,(H,15,16,22)