2-(hydroxymethylsulfanyl)-4-propoxy-6-thiomorpholin-4-yl-pyrimidine-5-carbonitrile

Systemtic Name: 2-(hydroxymethylsulfanyl)-4-propoxy-6-thiomorpholin-4-yl-pyrimidine-5-carbonitrile Openeye Name: 2-(hydroxymethylsulfanyl)-4-propoxy-6-thiomorpholino-pyrimidine-5-carbonitrile CAS Name: 2-(hydroxymethylthio)-4-propoxy-6-thiomorpholin-4-yl-5-pyrimidinecarbonitrile IUPAC Name: 2-(hydroxymethylsulfanyl)-4-propoxy-6-thiomorpholin-4-ylpyrimidine-5-carbonitrile Traditional Name: 2-(methylolthio)-4-propoxy-6-thiomorpholino-pyrimidine-5-carbonitrile Formula: C13H18N4O2S2 MolecularWeight: 326.43762

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1C#N)N2CCSCC2)SCO

Isomeric SMILES

CCCOC1=NC(=NC(=C1C#N)N2CCSCC2)SCO

InChI

InChI=1S/C13H18N4O2S2/c1-2-5-19-12-10(8-14)11(15-13(16-12)21-9-18)17-3-6-20-7-4-17/h18H,2-7,9H2,1H3