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

Systemtic Name: N-(3-chlorophenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-chlorophenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-chlorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-chlorophenyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C28H28ClN3O3S2 MolecularWeight: 554.12322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CCC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CCC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H28ClN3O3S2/c1-17-22-25(37-23(17)24(34)30-20-12-8-11-19(29)15-20)31-27(36-16-21(33)28(2,3)4)32(26(22)35)14-13-18-9-6-5-7-10-18/h5-12,15H,13-14,16H2,1-4H3,(H,30,34)