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

Systemtic Name: 3-[5-ethanoyl-3-(2-methylpropyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-(5-acetyl-3-isobutyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)benzonitrile CAS Name: 3-[5-acetyl-3-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]benzonitrile IUPAC Name: 3-[5-acetyl-3-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]benzonitrile Traditional Name: 3-(5-acetyl-3-isobutyl-2,4,6-triketo-hexahydropyrimidin-1-yl)benzonitrile Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)C(=O)C

Isomeric SMILES

CC(C)CN1C(=O)C(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)C(=O)C

InChI

InChI=1S/C17H17N3O4/c1-10(2)9-19-15(22)14(11(3)21)16(23)20(17(19)24)13-6-4-5-12(7-13)8-18/h4-7,10,14H,9H2,1-3H3