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

Systemtic Name: 3-[3-(cyclopropylmethyl)-5-ethanoyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-[5-acetyl-3-(cyclopropylmethyl)-2,4,6-trioxo-hexahydropyrimidin-1-yl]benzonitrile CAS Name: 3-[5-acetyl-3-(cyclopropylmethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]benzonitrile IUPAC Name: 3-[5-acetyl-3-(cyclopropylmethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]benzonitrile Traditional Name: 3-[5-acetyl-3-(cyclopropylmethyl)-2,4,6-triketo-hexahydropyrimidin-1-yl]benzonitrile Formula: C17H15N3O4 MolecularWeight: 325.3187

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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)CC3CC3

Isomeric SMILES

CC(=O)C1C(=O)N(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)CC3CC3

InChI

InChI=1S/C17H15N3O4/c1-10(21)14-15(22)19(9-11-5-6-11)17(24)20(16(14)23)13-4-2-3-12(7-13)8-18/h2-4,7,11,14H,5-6,9H2,1H3