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

Systemtic Name: 3-[5-ethanoyl-2,4,6-tris(oxidanylidene)-3-propan-2-yl-1,3-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-(5-acetyl-3-isopropyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)benzonitrile CAS Name: 3-(5-acetyl-2,4,6-trioxo-3-propan-2-yl-1,3-diazinan-1-yl)benzonitrile IUPAC Name: 3-(5-acetyl-2,4,6-trioxo-3-propan-2-yl-1,3-diazinan-1-yl)benzonitrile Traditional Name: 3-(5-acetyl-3-isopropyl-2,4,6-triketo-hexahydropyrimidin-1-yl)benzonitrile Formula: C16H15N3O4 MolecularWeight: 313.308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)C(=O)C

Isomeric SMILES

CC(C)N1C(=O)C(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)C(=O)C

InChI

InChI=1S/C16H15N3O4/c1-9(2)18-14(21)13(10(3)20)15(22)19(16(18)23)12-6-4-5-11(7-12)8-17/h4-7,9,13H,1-3H3