2-(3-azaniumylpropylsulfanyl)-6-tert-butyl-pyrimidin-4-olate

Systemtic Name: 2-(3-azaniumylpropylsulfanyl)-6-tert-butyl-pyrimidin-4-olate Openeye Name: 2-(3-azaniumylpropylsulfanyl)-6-tert-butyl-pyrimidin-4-olate CAS Name: 2-(3-ammoniopropylthio)-6-tert-butyl-4-pyrimidinolate IUPAC Name: 2-(3-azaniumylpropylsulfanyl)-6-tert-butylpyrimidin-4-olate Traditional Name: 2-(3-ammoniopropylthio)-6-tert-butyl-pyrimidin-4-olate Formula: C11H19N3OS MolecularWeight: 241.35306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCCC[NH3+])[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCCC[NH3+])[O-]

InChI

InChI=1S/C11H19N3OS/c1-11(2,3)8-7-9(15)14-10(13-8)16-6-4-5-12/h7H,4-6,12H2,1-3H3,(H,13,14,15)