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

Systemtic Name: N-cyclohexyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-benzyl-N-cyclohexyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-5-methyl-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-benzyl-N-cyclohexyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-benzyl-N-cyclohexyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C27H33N3O3S2 MolecularWeight: 511.69922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CC3=CC=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CC3=CC=CC=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C27H33N3O3S2/c1-17-21-24(35-22(17)23(32)28-19-13-9-6-10-14-19)29-26(34-16-20(31)27(2,3)4)30(25(21)33)15-18-11-7-5-8-12-18/h5,7-8,11-12,19H,6,9-10,13-16H2,1-4H3,(H,28,32)