N-(4-nitrophenyl)-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-nitrophenyl)-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H16N4O5S/c24-16(20-13-6-8-14(9-7-13)23(27)28)11-29-19-21-17(25)15(18(26)22-19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,24)(H2,21,22,25,26)