N-(1-adamantyl)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H27N3O2S2/c1-11-12(2)28-20-18(11)19(26)22-16(23-20)9-27-10-17(25)24-21-6-13-3-14(7-21)5-15(4-13)8-21/h13-15H,3-10H2,1-2H3,(H,24,25)(H,22,23,26)