2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-5-nitro-benzoic acid

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-5-nitro-benzoic acid Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-5-nitro-benzoic acid CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-5-nitrobenzoic acid IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-5-nitrobenzoic acid Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-5-nitro-benzoic acid Formula: C11H8N4O5S MolecularWeight: 308.27002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N4O5S/c12-8-4-9(16)14-11(13-8)21-7-2-1-5(15(19)20)3-6(7)10(17)18/h1-4H,(H,17,18)(H3,12,13,14,16)