2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: 2-[2-[(2-cyanophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: 2-[2-[(2-cyanobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-m-anisyl-acetamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H20N4O3S/c1-29-19-8-4-5-15(9-19)13-24-20(27)10-18-11-21(28)26-22(25-18)30-14-17-7-3-2-6-16(17)12-23/h2-9,11H,10,13-14H2,1H3,(H,24,27)(H,25,26,28)