2-[[5-[(4-methoxyphenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[(4-hydroxy-6-keto-5-p-anisyl-1H-pyrimidin-2-yl)thio]-N-(o-tolyl)acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)OC)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C21H21N3O4S/c1-13-5-3-4-6-17(13)22-18(25)12-29-21-23-19(26)16(20(27)24-21)11-14-7-9-15(28-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,22,25)(H2,23,24,26,27)