(5-cyano-4-propoxy-6-thiomorpholin-4-yl-pyrimidin-2-yl)sulfanylmethanolate

Systemtic Name: (5-cyano-4-propoxy-6-thiomorpholin-4-yl-pyrimidin-2-yl)sulfanylmethanolate Openeye Name: (5-cyano-4-propoxy-6-thiomorpholino-pyrimidin-2-yl)sulfanylmethanolate CAS Name: [(5-cyano-4-propoxy-6-thiomorpholin-4-yl-2-pyrimidinyl)thio]methanolate IUPAC Name: (5-cyano-4-propoxy-6-thiomorpholin-4-ylpyrimidin-2-yl)sulfanylmethanolate Traditional Name: [(5-cyano-4-propoxy-6-thiomorpholino-pyrimidin-2-yl)thio]methanolate Formula: C13H17N4O2S2- MolecularWeight: 325.42968

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1C#N)N2CCSCC2)SC[O-]

Isomeric SMILES

CCCOC1=NC(=NC(=C1C#N)N2CCSCC2)SC[O-]

InChI

InChI=1S/C13H17N4O2S2/c1-2-5-19-12-10(8-14)11(15-13(16-12)21-9-18)17-3-6-20-7-4-17/h2-7,9H2,1H3/q-1