2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N,N-diethyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N,N-diethyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-N,N-diethyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-N,N-diethyl-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N,N-diethyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N,N-diethyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C26H33N3O3S2 MolecularWeight: 499.68852

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)C(C)(C)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)C(C)(C)C)C

InChI

InChI=1S/C26H33N3O3S2/c1-7-28(8-2)24(32)21-17(3)20-22(34-21)27-25(33-16-19(30)26(4,5)6)29(23(20)31)15-14-18-12-10-9-11-13-18/h9-13H,7-8,14-16H2,1-6H3