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

Systemtic Name: N-[6-azanyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-[(3-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-4-keto-2-[(3-nitrobenzyl)thio]-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C19H16N6O6S MolecularWeight: 456.43194

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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)SCC3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H16N6O6S/c1-10-13(6-3-7-14(10)25(30)31)17(26)21-15-16(20)22-19(23-18(15)27)32-9-11-4-2-5-12(8-11)24(28)29/h2-8H,9H2,1H3,(H,21,26)(H3,20,22,23,27)