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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[2-[(3-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: 2-[4-keto-2-[(3-nitrobenzyl)thio]-1H-pyrimidin-6-yl]-N-m-anisyl-acetamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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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=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-30-18-7-3-4-14(9-18)12-22-19(26)10-16-11-20(27)24-21(23-16)31-13-15-5-2-6-17(8-15)25(28)29/h2-9,11H,10,12-13H2,1H3,(H,22,26)(H,23,24,27)