5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[5-(azepan-1-yl)-2-furyl]methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[5-(1-azepanyl)-2-furanyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[5-(azepan-1-yl)-2-furyl]methylene]-1-cyclohexyl-barbituric acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C21H27N3O4/c25-19-17(20(26)24(21(27)22-19)15-8-4-3-5-9-15)14-16-10-11-18(28-16)23-12-6-1-2-7-13-23/h10-11,14-15H,1-9,12-13H2,(H,22,25,27)