4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzamide CAS Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-3-nitrobenzamide IUPAC Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-3-nitro-benzamide Formula: C11H9N5O4S MolecularWeight: 307.28526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C11H9N5O4S/c12-8-4-9(17)15-11(14-8)21-7-2-1-5(10(13)18)3-6(7)16(19)20/h1-4H,(H2,13,18)(H3,12,14,15,17)