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

Systemtic Name: N-[6-azanyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C21H19N5O6S MolecularWeight: 469.47046

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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)OC)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)OC)N

InChI

InChI=1S/C21H19N5O6S/c1-11-14(4-3-5-15(11)26(30)31)19(28)23-17-18(22)24-21(25-20(17)29)33-10-16(27)12-6-8-13(32-2)9-7-12/h3-9H,10H2,1-2H3,(H,23,28)(H3,22,24,25,29)