2-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]ethyl]thio]pyrimidin-4-olate Formula: C13H13N6O4S- MolecularWeight: 349.34512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1[N+](=O)[O-])NCCNC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1=CC(=NC=C1[N+](=O)[O-])NCCNC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H14N6O4S/c20-11-3-4-16-13(18-11)24-8-12(21)15-6-5-14-10-2-1-9(7-17-10)19(22)23/h1-4,7H,5-6,8H2,(H,14,17)(H,15,21)(H,16,18,20)/p-1