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

Systemtic Name: 3-[3-cyclopropyl-5-ethanoyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-(5-acetyl-3-cyclopropyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)benzonitrile CAS Name: 3-(5-acetyl-3-cyclopropyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzonitrile IUPAC Name: 3-(5-acetyl-3-cyclopropyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzonitrile Traditional Name: 3-(5-acetyl-3-cyclopropyl-2,4,6-triketo-hexahydropyrimidin-1-yl)benzonitrile Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(=O)N(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)C3CC3

Isomeric SMILES

CC(=O)C1C(=O)N(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)C3CC3

InChI

InChI=1S/C16H13N3O4/c1-9(20)13-14(21)18(11-5-6-11)16(23)19(15(13)22)12-4-2-3-10(7-12)8-17/h2-4,7,11,13H,5-6H2,1H3