N-(3-methoxyphenyl)-2-[[4-oxidanyl-6-oxidanylidene-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[[4-oxidanyl-6-oxidanylidene-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(E)-cinnamyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[4-hydroxy-6-oxo-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[4-hydroxy-6-oxo-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[5-[(E)-cinnamyl]-4-hydroxy-6-keto-1H-pyrimidin-2-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC=CC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C22H21N3O4S/c1-29-17-11-6-10-16(13-17)23-19(26)14-30-22-24-20(27)18(21(28)25-22)12-5-9-15-7-3-2-4-8-15/h2-11,13H,12,14H2,1H3,(H,23,26)(H2,24,25,27,28)/b9-5+