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

Systemtic Name: 2-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[(5-butyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-homoveratryl-acetamide Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C20H27N3O5S/c1-4-5-6-14-18(25)22-20(23-19(14)26)29-12-17(24)21-10-9-13-7-8-15(27-2)16(11-13)28-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,21,24)(H2,22,23,25,26)