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

Systemtic Name: 2-[[5-(4-chlorophenyl)-1-prop-2-enyl-imidazol-2-yl]sulfanylmethyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[[1-allyl-5-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[[[5-(4-chlorophenyl)-1-prop-2-enyl-2-imidazolyl]thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[[[1-allyl-5-(4-chlorophenyl)imidazol-2-yl]thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19ClN4O2S2 MolecularWeight: 470.99486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC=C(N3CC=C)C4=CC=C(C=C4)Cl)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC=C(N3CC=C)C4=CC=C(C=C4)Cl)C(=O)C

InChI

InChI=1S/C22H19ClN4O2S2/c1-4-9-27-16(14-5-7-15(23)8-6-14)10-24-22(27)30-11-17-25-20(29)18-12(2)19(13(3)28)31-21(18)26-17/h4-8,10H,1,9,11H2,2-3H3,(H,25,26,29)