N-(1-adamantyl)-2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4)SC(=C2C)C

InChI

InChI=1S/C23H31N3O2S2/c1-5-26-21(28)18-12(2)13(3)29-20(18)24-22(26)30-14(4)19(27)25-23-9-15-6-16(10-23)8-17(7-15)11-23/h14-17H,5-11H2,1-4H3,(H,25,27)