2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C14H14ClN4O2S- MolecularWeight: 337.80456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(N=CC=C2)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(N=CC=C2)Cl)[O-]

InChI

InChI=1S/C14H15ClN4O2S/c1-2-4-9-7-11(20)19-14(17-9)22-8-12(21)18-10-5-3-6-16-13(10)15/h3,5-7H,2,4,8H2,1H3,(H,18,21)(H,17,19,20)/p-1