1-cyclohexyl-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-cyclohexyl-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-(3-methoxy-4-propargyloxy-benzylidene)barbituric acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)OCC#C

InChI

InChI=1S/C21H22N2O5/c1-3-11-28-17-10-9-14(13-18(17)27-2)12-16-19(24)22-21(26)23(20(16)25)15-7-5-4-6-8-15/h1,9-10,12-13,15H,4-8,11H2,2H3,(H,22,24,26)