2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-N-(2,4-dimethylphenyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H21N5O2S2 MolecularWeight: 475.58584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=NC5=CC=CC=C5N4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=NC5=CC=CC=C5N4)C)C

InChI

InChI=1S/C24H21N5O2S2/c1-12-8-9-15(13(2)10-12)25-22(31)20-14(3)19-21(30)28-18(29-23(19)33-20)11-32-24-26-16-6-4-5-7-17(16)27-24/h4-10H,11H2,1-3H3,(H,25,31)(H,26,27)(H,28,29,30)