2-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H19N6O4S- MolecularWeight: 391.42486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H20N6O4S/c1-2-3-11-8-14(23)21-16(20-11)27-10-15(24)18-7-6-17-13-5-4-12(9-19-13)22(25)26/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,17,19)(H,18,24)(H,20,21,23)/p-1