2-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H19N4O2S- MolecularWeight: 319.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2(CCCC2)C#N)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2(CCCC2)C#N)[O-]

InChI

InChI=1S/C15H20N4O2S/c1-2-5-11-8-12(20)18-14(17-11)22-9-13(21)19-15(10-16)6-3-4-7-15/h8H,2-7,9H2,1H3,(H,19,21)(H,17,18,20)/p-1