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

Systemtic Name: 2-(3-azaniumylpropylsulfanyl)-6-propyl-pyrimidin-4-olate Openeye Name: 2-(3-azaniumylpropylsulfanyl)-6-propyl-pyrimidin-4-olate CAS Name: 2-(3-ammoniopropylthio)-6-propyl-4-pyrimidinolate IUPAC Name: 2-(3-azaniumylpropylsulfanyl)-6-propylpyrimidin-4-olate Traditional Name: 2-(3-ammoniopropylthio)-6-propyl-pyrimidin-4-olate Formula: C10H17N3OS MolecularWeight: 227.32648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N3OS/c1-2-4-8-7-9(14)13-10(12-8)15-6-3-5-11/h7H,2-6,11H2,1H3,(H,12,13,14)