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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-[1-(1-adamantyl)ethyl]-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: N-[1-(1-adamantyl)ethyl]-3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C21H27N3O2S MolecularWeight: 385.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C=NC5=C(C4=O)C=CS5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C=NC5=C(C4=O)C=CS5

InChI

InChI=1S/C21H27N3O2S/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)23-18(25)2-4-24-12-22-19-17(20(24)26)3-5-27-19/h3,5,12-16H,2,4,6-11H2,1H3,(H,23,25)