2-[2-[(4-azanyl-1,2,5-oxadiazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-azanyl-1,2,5-oxadiazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(4-aminofurazan-3-yl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C11H13N6O3S- MolecularWeight: 309.32432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=NON=C2N)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=NON=C2N)[O-]

InChI

InChI=1S/C11H14N6O3S/c1-2-3-6-4-7(18)15-11(13-6)21-5-8(19)14-10-9(12)16-20-17-10/h4H,2-3,5H2,1H3,(H2,12,16)(H,13,15,18)(H,14,17,19)/p-1