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

Systemtic Name: N-[6-azanyl-2-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-[(2-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-2-[(2-chlorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C19H16ClN5O4S MolecularWeight: 445.87944

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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=C3Cl)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC=C3Cl)N

InChI

InChI=1S/C19H16ClN5O4S/c1-10-12(6-4-8-14(10)25(28)29)17(26)22-15-16(21)23-19(24-18(15)27)30-9-11-5-2-3-7-13(11)20/h2-8H,9H2,1H3,(H,22,26)(H3,21,23,24,27)