2-[[4,6-bis(oxidanyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenyl-methyl]propanedinitrile

Systemtic Name: 2-[[4,6-bis(oxidanyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenyl-methyl]propanedinitrile Openeye Name: 2-[(4,6-dihydroxy-2-thioxo-hexahydropyrimidin-5-yl)-phenyl-methyl]propanedinitrile CAS Name: 2-[(4,6-dihydroxy-2-sulfanylidene-1,3-diazinan-5-yl)-phenylmethyl]propanedinitrile IUPAC Name: 2-[(4,6-dihydroxy-2-sulfanylidene-1,3-diazinan-5-yl)-phenylmethyl]propanedinitrile Traditional Name: 2-[(4,6-dihydroxy-2-thioxo-hexahydropyrimidin-5-yl)-phenyl-methyl]malononitrile Formula: C14H14N4O2S MolecularWeight: 302.35156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2C(NC(=S)NC2O)O)C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C2C(NC(=S)NC2O)O)C(C#N)C#N

InChI

InChI=1S/C14H14N4O2S/c15-6-9(7-16)10(8-4-2-1-3-5-8)11-12(19)17-14(21)18-13(11)20/h1-5,9-13,19-20H,(H2,17,18,21)