2-(3-azaniumylpropylsulfanyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-(3-azaniumylpropylsulfanyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-(3-azaniumylpropylsulfanyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-(3-ammoniopropylthio)-6-methyl-4-pyrimidinolate IUPAC Name: 2-(3-azaniumylpropylsulfanyl)-6-methylpyrimidin-4-olate Traditional Name: 2-(3-ammoniopropylthio)-6-methyl-pyrimidin-4-olate Formula: C8H13N3OS MolecularWeight: 199.27332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC[NH3+])[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC[NH3+])[O-]

InChI

InChI=1S/C8H13N3OS/c1-6-5-7(12)11-8(10-6)13-4-2-3-9/h5H,2-4,9H2,1H3,(H,10,11,12)