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

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H17N5O2S3 MolecularWeight: 443.56558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3C4CC4)C5=CC=CS5)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3C4CC4)C5=CC=CS5)C(=O)C

InChI

InChI=1S/C19H17N5O2S3/c1-9-14-17(26)20-13(21-18(14)29-15(9)10(2)25)8-28-19-23-22-16(12-4-3-7-27-12)24(19)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,20,21,26)