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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxidanyl-6-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxy-5-isopropyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-homoveratryl-2-[(4-hydroxy-5-isopropyl-6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(NC1=O)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC(C)C1=C(N=C(NC1=O)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C19H25N3O5S/c1-11(2)16-17(24)21-19(22-18(16)25)28-10-15(23)20-8-7-12-5-6-13(26-3)14(9-12)27-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,23)(H2,21,22,24,25)