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

Systemtic Name: 6-ethanoyl-5-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H13N5O2S3 MolecularWeight: 403.50172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NNC(=N3)C4=CC=CS4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NNC(=N3)C4=CC=CS4)C(=O)C

InChI

InChI=1S/C16H13N5O2S3/c1-7-11-14(23)17-10(18-15(11)26-12(7)8(2)22)6-25-16-19-13(20-21-16)9-4-3-5-24-9/h3-5H,6H2,1-2H3,(H,17,18,23)(H,19,20,21)