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

Systemtic Name: N-[6-azanyl-2-(cyanomethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-(cyanomethylthio)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-2-(cyanomethylthio)-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C14H12N6O4S MolecularWeight: 360.34788

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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#N)N

Isomeric SMILES

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

InChI

InChI=1S/C14H12N6O4S/c1-7-8(3-2-4-9(7)20(23)24)12(21)17-10-11(16)18-14(19-13(10)22)25-6-5-15/h2-4H,6H2,1H3,(H,17,21)(H3,16,18,19,22)