N-tert-butyl-2-[5,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[5,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[5,6-dimethyl-4-oxo-3-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-tert-butylacetamide Traditional Name: 2-[(3-benzyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-tert-butyl-acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S2/c1-13-14(2)28-18-17(13)19(26)24(11-15-9-7-6-8-10-15)20(22-18)27-12-16(25)23-21(3,4)5/h6-10H,11-12H2,1-5H3,(H,23,25)