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

Systemtic Name: N-[6-azanyl-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-[(3-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-2-[(3-fluorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C19H16FN5O4S MolecularWeight: 429.424843

Click to see the large picture

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)F)N

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN5O4S/c1-10-13(6-3-7-14(10)25(28)29)17(26)22-15-16(21)23-19(24-18(15)27)30-9-11-4-2-5-12(20)8-11/h2-8H,9H2,1H3,(H,22,26)(H3,21,23,24,27)