1,3-dimethyl-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[(4-octoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-(4-octoxybenzylidene)barbituric acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H28N2O4/c1-4-5-6-7-8-9-14-27-17-12-10-16(11-13-17)15-18-19(24)22(2)21(26)23(3)20(18)25/h10-13,15H,4-9,14H2,1-3H3