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

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

Systemtic Name:2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-5-nitro-benzoate
Openeye Name:2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-5-nitro-benzoate
CAS Name:2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-5-nitrobenzoate
IUPAC Name:2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-5-nitrobenzoate
Traditional Name:2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-5-nitro-benzoate
Formula: C11H7N4O5S-
MolecularWeight: 307.26208
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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)/p-1


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