N-(1-adamantyl)-2-(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(3-ethyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(3-ethyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(3-ethyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]propionamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CS2)N=C1SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=O)C2=C(C=CS2)N=C1SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3O2S2/c1-3-24-19(26)17-16(4-5-27-17)22-20(24)28-12(2)18(25)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h4-5,12-15H,3,6-11H2,1-2H3,(H,23,25)