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

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-N-(2-methylbutan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-N-(1,1-dimethylpropyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-5-methyl-N-(2-methylbutan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-N-(2-methylbutan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-tert-amyl-2-[[(2,5-dimethylphenyl)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=C(C=CC(=C3)C)C)C

Isomeric SMILES

CCC(C)(C)NC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=C(C=CC(=C3)C)C)C

InChI

InChI=1S/C22H27N3O2S2/c1-7-22(5,6)25-20(27)18-14(4)17-19(26)23-16(24-21(17)29-18)11-28-15-10-12(2)8-9-13(15)3/h8-10H,7,11H2,1-6H3,(H,25,27)(H,23,24,26)