1-azanyl-2-cyano-3-phenyl-3-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]propane-1-thiolate

Systemtic Name: 1-azanyl-2-cyano-3-phenyl-3-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]propane-1-thiolate Openeye Name: 1-amino-2-cyano-3-phenyl-3-(2,4,6-trioxohexahydropyrimidin-5-yl)propane-1-thiolate CAS Name: 1-amino-2-cyano-3-phenyl-3-(2,4,6-trioxo-1,3-diazinan-5-yl)-1-propanethiolate IUPAC Name: 1-amino-2-cyano-3-phenyl-3-(2,4,6-trioxo-1,3-diazinan-5-yl)propane-1-thiolate Traditional Name: 1-amino-2-cyano-3-phenyl-3-(2,4,6-triketohexahydropyrimidin-5-yl)propane-1-thiolate Formula: C14H13N4O3S- MolecularWeight: 317.34302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2C(=O)NC(=O)NC2=O)C(C#N)C(N)[S-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2C(=O)NC(=O)NC2=O)C(C#N)C(N)[S-]

InChI

InChI=1S/C14H14N4O3S/c15-6-8(11(16)22)9(7-4-2-1-3-5-7)10-12(19)17-14(21)18-13(10)20/h1-5,8-11,22H,16H2,(H2,17,18,19,20,21)/p-1