1-butyl-3-[(2,6-dimethyl-3-oxidanyl-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-butyl-3-[(2,6-dimethyl-3-oxidanyl-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-butyl-3-[(3-hydroxy-2,6-dimethyl-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1-butyl-3-[(3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-butyl-3-[(3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-butyl-3-(3-hydroxy-2,6-dimethyl-benzyl)isocyanuric acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NC(=O)N(C1=O)CC2=C(C=CC(=C2C)O)C

Isomeric SMILES

CCCCN1C(=O)NC(=O)N(C1=O)CC2=C(C=CC(=C2C)O)C

InChI

InChI=1S/C16H21N3O4/c1-4-5-8-18-14(21)17-15(22)19(16(18)23)9-12-10(2)6-7-13(20)11(12)3/h6-7,20H,4-5,8-9H2,1-3H3,(H,17,21,22)