5-[(azepan-1-ylamino)methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-[2-(3,4-dimethoxyphenyl)ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-azepanylamino)methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-homoveratryl-barbituric acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C(=CNN3CCCCCC3)C(=O)NC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C(=CNN3CCCCCC3)C(=O)NC2=O)OC

InChI

InChI=1S/C21H28N4O5/c1-29-17-8-7-15(13-18(17)30-2)9-12-25-20(27)16(19(26)23-21(25)28)14-22-24-10-5-3-4-6-11-24/h7-8,13-14,22H,3-6,9-12H2,1-2H3,(H,23,26,28)