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

Systemtic Name: 2-(3-cyanopropylsulfanyl)pyrimidin-4-olate Openeye Name: 2-(3-cyanopropylsulfanyl)pyrimidin-4-olate CAS Name: 2-(3-cyanopropylthio)-4-pyrimidinolate IUPAC Name: 2-(3-cyanopropylsulfanyl)pyrimidin-4-olate Traditional Name: 2-(3-cyanopropylthio)pyrimidin-4-olate Formula: C8H8N3OS- MolecularWeight: 194.23362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1[O-])SCCCC#N

Isomeric SMILES

C1=CN=C(N=C1[O-])SCCCC#N

InChI

InChI=1S/C8H9N3OS/c9-4-1-2-6-13-8-10-5-3-7(12)11-8/h3,5H,1-2,6H2,(H,10,11,12)/p-1