2-(2-azaniumylethylsulfanyl)-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-(2-azaniumylethylsulfanyl)-6-propyl-pyrimidin-4-olate Openeye Name: 2-(2-azaniumylethylsulfanyl)-6-propyl-pyrimidin-4-olate CAS Name: 2-(2-ammonioethylthio)-6-propyl-4-pyrimidinolate IUPAC Name: 2-(2-azaniumylethylsulfanyl)-6-propylpyrimidin-4-olate Traditional Name: 2-(2-ammonioethylthio)-6-propyl-pyrimidin-4-olate Formula: C9H15N3OS MolecularWeight: 213.2999

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC[NH3+])[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC[NH3+])[O-]

InChI

InChI=1S/C9H15N3OS/c1-2-3-7-6-8(13)12-9(11-7)14-5-4-10/h6H,2-5,10H2,1H3,(H,11,12,13)