4-[bis[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[bis[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methyl]benzenecarbonitrile Openeye Name: 4-[bis(2,4,6-trioxohexahydropyrimidin-5-yl)methyl]benzonitrile CAS Name: 4-[bis(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzonitrile IUPAC Name: 4-[bis(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzonitrile Traditional Name: 4-[bis(2,4,6-triketohexahydropyrimidin-5-yl)methyl]benzonitrile Formula: C16H11N5O6 MolecularWeight: 369.28844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2C(=O)NC(=O)NC2=O)C3C(=O)NC(=O)NC3=O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2C(=O)NC(=O)NC2=O)C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C16H11N5O6/c17-5-6-1-3-7(4-2-6)8(9-11(22)18-15(26)19-12(9)23)10-13(24)20-16(27)21-14(10)25/h1-4,8-10H,(H2,18,19,22,23,26)(H2,20,21,24,25,27)