2-[(3-cyclopentyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[(3-cyclopentyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[(3-cyclopentyl-4-hydroxy-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[(3-cyclopentyl-4-hydroxy-6-oxo-1H-pyrimidin-3-ium-2-yl)thio]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[(3-cyclopentyl-4-hydroxy-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-cyclopentyl-4-hydroxy-6-keto-1H-pyrimidin-3-ium-2-yl)thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=[N+](C(=CC(=O)N2)O)C3CCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=[N+](C(=CC(=O)N2)O)C3CCCC3)OC

InChI

InChI=1S/C19H23N3O5S/c1-26-14-7-12(8-15(9-14)27-2)20-17(24)11-28-19-21-16(23)10-18(25)22(19)13-5-3-4-6-13/h7-10,13H,3-6,11H2,1-2H3,(H2,20,23,24,25)/p+1