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

Systemtic Name: 6-ethanoyl-5-methyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[[(1-phenyl-5-tetrazolyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[[(1-phenyltetrazol-5-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H14N6O2S2 MolecularWeight: 398.46206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=NN3C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=NN3C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C17H14N6O2S2/c1-9-13-15(25)18-12(19-16(13)27-14(9)10(2)24)8-26-17-20-21-22-23(17)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,19,25)