2-(3-azaniumylpropylsulfanyl)-6-thiophen-2-yl-pyrimidin-4-olate

Systemtic Name: 2-(3-azaniumylpropylsulfanyl)-6-thiophen-2-yl-pyrimidin-4-olate Openeye Name: 2-(3-azaniumylpropylsulfanyl)-6-(2-thienyl)pyrimidin-4-olate CAS Name: 2-(3-ammoniopropylthio)-6-thiophen-2-yl-4-pyrimidinolate IUPAC Name: 2-(3-azaniumylpropylsulfanyl)-6-thiophen-2-ylpyrimidin-4-olate Traditional Name: 2-(3-ammoniopropylthio)-6-(2-thienyl)pyrimidin-4-olate Formula: C11H13N3OS2 MolecularWeight: 267.37042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NC(=N2)SCCC[NH3+])[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NC(=N2)SCCC[NH3+])[O-]

InChI

InChI=1S/C11H13N3OS2/c12-4-2-6-17-11-13-8(7-10(15)14-11)9-3-1-5-16-9/h1,3,5,7H,2,4,6,12H2,(H,13,14,15)