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

Systemtic Name: 2-(3-azaniumylpropylsulfanyl)pyrimidin-4-olate Openeye Name: 2-(3-azaniumylpropylsulfanyl)pyrimidin-4-olate CAS Name: 2-(3-ammoniopropylthio)-4-pyrimidinolate IUPAC Name: 2-(3-azaniumylpropylsulfanyl)pyrimidin-4-olate Traditional Name: 2-(3-ammoniopropylthio)pyrimidin-4-olate Formula: C7H11N3OS MolecularWeight: 185.24674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1[O-])SCCC[NH3+]

Isomeric SMILES

C1=CN=C(N=C1[O-])SCCC[NH3+]

InChI

InChI=1S/C7H11N3OS/c8-3-1-5-12-7-9-4-2-6(11)10-7/h2,4H,1,3,5,8H2,(H,9,10,11)