N-[6-azanyl-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[6-azanyl-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C20H16ClN5O5S MolecularWeight: 473.88954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SCC(=O)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SCC(=O)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C20H16ClN5O5S/c1-10-13(3-2-4-14(10)26(30)31)18(28)23-16-17(22)24-20(25-19(16)29)32-9-15(27)11-5-7-12(21)8-6-11/h2-8H,9H2,1H3,(H,23,28)(H3,22,24,25,29)