N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: 2-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C=NC3=C(C2=O)C=CS3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C=NC3=C(C2=O)C=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C19H26N4O3S/c24-16(12-22-14-21-17-15(18(22)25)4-11-27-17)20-13-19(5-2-1-3-6-19)23-7-9-26-10-8-23/h4,11,14H,1-3,5-10,12-13H2,(H,20,24)/p+1