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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N-(3,5-dimethylphenyl)-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C30H33N3O3S2 MolecularWeight: 547.73132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC(=O)C(C)(C)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC(=O)C(C)(C)C)C)C

InChI

InChI=1S/C30H33N3O3S2/c1-18-14-19(2)16-22(15-18)31-26(35)25-20(3)24-27(38-25)32-29(37-17-23(34)30(4,5)6)33(28(24)36)13-12-21-10-8-7-9-11-21/h7-11,14-16H,12-13,17H2,1-6H3,(H,31,35)