N-(4-tert-butylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-tert-butylphenyl)-2-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-tert-butylphenyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NC3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C21H25N3OS2/c1-12-13(2)27-20-18(12)19(22-14(3)23-20)26-11-17(25)24-16-9-7-15(8-10-16)21(4,5)6/h7-10H,11H2,1-6H3,(H,24,25)