morpholine; 2-[(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-phenyl-methyl]propanedinitrile

Systemtic Name: morpholine; 2-[(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-phenyl-methyl]propanedinitrile Openeye Name: 2-[(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-phenyl-methyl]propanedinitrile; morpholine CAS Name: 2-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-phenylmethyl]propanedinitrile; morpholine IUPAC Name: 2-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-phenylmethyl]propanedinitrile; morpholine Traditional Name: 2-[(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)-phenyl-methyl]malononitrile; morpholine Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1.C1=CC=C(C=C1)C(C2=C(NC(=S)NC2=O)O)C(C#N)C#N

Isomeric SMILES

C1COCCN1.C1=CC=C(C=C1)C(C2=C(NC(=S)NC2=O)O)C(C#N)C#N

InChI

InChI=1S/C14H10N4O2S.C4H9NO/c15-6-9(7-16)10(8-4-2-1-3-5-8)11-12(19)17-14(21)18-13(11)20;1-3-6-4-2-5-1/h1-5,9-10H,(H3,17,18,19,20,21);5H,1-4H2