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

Systemtic Name: 2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C=NC3=C(C2=O)C=CS3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C=NC3=C(C2=O)C=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C20H28N4O2S/c25-17(13-23-15-22-18-16(19(23)26)7-12-27-18)21-14-20(8-3-1-4-9-20)24-10-5-2-6-11-24/h7,12,15H,1-6,8-11,13-14H2,(H,21,25)/p+1