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

Systemtic Name: 2-(3-azaniumylpropylsulfanyl)-6-(4-methoxyphenyl)pyrimidin-4-olate Openeye Name: 2-(3-azaniumylpropylsulfanyl)-6-(4-methoxyphenyl)pyrimidin-4-olate CAS Name: 2-(3-ammoniopropylthio)-6-(4-methoxyphenyl)-4-pyrimidinolate IUPAC Name: 2-(3-azaniumylpropylsulfanyl)-6-(4-methoxyphenyl)pyrimidin-4-olate Traditional Name: 2-(3-ammoniopropylthio)-6-(4-methoxyphenyl)pyrimidin-4-olate Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC[NH3+])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC[NH3+])[O-]

InChI

InChI=1S/C14H17N3O2S/c1-19-11-5-3-10(4-6-11)12-9-13(18)17-14(16-12)20-8-2-7-15/h3-6,9H,2,7-8,15H2,1H3,(H,16,17,18)