5-[(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-(2-furylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-cyclopentyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-(2-furfuryl)barbituric acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCC2)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

Isomeric SMILES

CC1=CC(=C(N1C2CCCC2)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

InChI

InChI=1S/C21H23N3O4/c1-13-10-15(14(2)24(13)16-6-3-4-7-16)11-18-19(25)22-21(27)23(20(18)26)12-17-8-5-9-28-17/h5,8-11,16H,3-4,6-7,12H2,1-2H3,(H,22,25,27)