2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-ethyl-6-methyl-3-(2-methyl-4-oxidanyl-phenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-ethyl-6-methyl-3-(2-methyl-4-oxidanyl-phenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-ethyl-3-(4-hydroxy-2-methyl-phenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-5-ethyl-3-(4-hydroxy-2-methyl-phenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C24H21N3O2S3 MolecularWeight: 479.63744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)C5=C(C=C(C=C5)O)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)C5=C(C=C(C=C5)O)C)C

InChI

InChI=1S/C24H21N3O2S3/c1-4-16-14(3)31-22-21(16)23(29)27(18-10-9-15(28)11-13(18)2)24(26-22)30-12-20-25-17-7-5-6-8-19(17)32-20/h5-11,28H,4,12H2,1-3H3