2-(3-azaniumylpropylsulfanyl)-5,6-dimethyl-pyrimidin-4-olate

Systemtic Name: 2-(3-azaniumylpropylsulfanyl)-5,6-dimethyl-pyrimidin-4-olate Openeye Name: 2-(3-azaniumylpropylsulfanyl)-5,6-dimethyl-pyrimidin-4-olate CAS Name: 2-(3-ammoniopropylthio)-5,6-dimethyl-4-pyrimidinolate IUPAC Name: 2-(3-azaniumylpropylsulfanyl)-5,6-dimethylpyrimidin-4-olate Traditional Name: 2-(3-ammoniopropylthio)-5,6-dimethyl-pyrimidin-4-olate Formula: C9H15N3OS MolecularWeight: 213.2999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCCC[NH3+])C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCCC[NH3+])C

InChI

InChI=1S/C9H15N3OS/c1-6-7(2)11-9(12-8(6)13)14-5-3-4-10/h3-5,10H2,1-2H3,(H,11,12,13)