N-(1-adamantylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1-adamantylmethyl)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-adamantylmethyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H27N3OS2/c1-12-13(2)27-20-18(12)19(23-11-24-20)26-9-17(25)22-10-21-6-14-3-15(7-21)5-16(4-14)8-21/h11,14-16H,3-10H2,1-2H3,(H,22,25)