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

Systemtic Name: 5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylidene]-1-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-1-(2-thienylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylidene]-1-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-1-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-1-(2-thenyl)barbituric acid Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CS4

InChI

InChI=1S/C22H19N3O3S/c1-14-11-16(15(2)25(14)17-7-4-3-5-8-17)12-19-20(26)23-22(28)24(21(19)27)13-18-9-6-10-29-18/h3-12H,13H2,1-2H3,(H,23,26,28)