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

Systemtic Name: N-cyclohexyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-cyclohexyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-cyclohexyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-cyclohexyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C28H35N3O3S2 MolecularWeight: 525.7258

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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)NC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CCC3=CC=CC=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C28H35N3O3S2/c1-18-22-25(36-23(18)24(33)29-20-13-9-6-10-14-20)30-27(35-17-21(32)28(2,3)4)31(26(22)34)16-15-19-11-7-5-8-12-19/h5,7-8,11-12,20H,6,9-10,13-17H2,1-4H3,(H,29,33)