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

Systemtic Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,4-dimethylphenyl)-5-methyl-2-[[(1-methyl-2-benzimidazolyl)thio]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-5-methyl-2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-4-keto-5-methyl-2-[[(1-methylbenzimidazol-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H23N5O2S2 MolecularWeight: 489.61242

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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=C5N4C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=NC5=CC=CC=C5N4C)C)C

InChI

InChI=1S/C25H23N5O2S2/c1-13-9-10-16(14(2)11-13)26-23(32)21-15(3)20-22(31)28-19(29-24(20)34-21)12-33-25-27-17-7-5-6-8-18(17)30(25)4/h5-11H,12H2,1-4H3,(H,26,32)(H,28,29,31)