(5-cyano-6-piperazin-1-yl-2-thiomorpholin-4-yl-pyrimidin-4-yl)oxymethanolate

Systemtic Name: (5-cyano-6-piperazin-1-yl-2-thiomorpholin-4-yl-pyrimidin-4-yl)oxymethanolate Openeye Name: (5-cyano-6-piperazin-1-yl-2-thiomorpholino-pyrimidin-4-yl)oxymethanolate CAS Name: [5-cyano-6-(1-piperazinyl)-2-thiomorpholin-4-yl-4-pyrimidinyl]oxymethanolate IUPAC Name: (5-cyano-6-piperazin-1-yl-2-thiomorpholin-4-ylpyrimidin-4-yl)oxymethanolate Traditional Name: (5-cyano-6-piperazino-2-thiomorpholino-pyrimidin-4-yl)oxymethanolate Formula: C14H19N6O2S- MolecularWeight: 335.40466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C(=NC(=N2)N3CCSCC3)OC[O-])C#N

Isomeric SMILES

C1CN(CCN1)C2=C(C(=NC(=N2)N3CCSCC3)OC[O-])C#N

InChI

InChI=1S/C14H19N6O2S/c15-9-11-12(19-3-1-16-2-4-19)17-14(18-13(11)22-10-21)20-5-7-23-8-6-20/h16H,1-8,10H2/q-1