2-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[(4,8-dimethyl-2-quinolyl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[[(4,8-dimethyl-2-quinolinyl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[[(4,8-dimethyl-2-quinolyl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC3=NC4=C(C(=C(S4)C(=O)C)C)C(=O)N3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC3=NC4=C(C(=C(S4)C(=O)C)C)C(=O)N3

InChI

InChI=1S/C21H19N3O2S2/c1-10-6-5-7-14-11(2)8-16(24-18(10)14)27-9-15-22-20(26)17-12(3)19(13(4)25)28-21(17)23-15/h5-8H,9H2,1-4H3,(H,22,23,26)