5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]barbituric acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3/c1-13-10-16(14(2)24(13)17-8-9-17)11-18-19(25)22-21(27)23(20(18)26)12-15-6-4-3-5-7-15/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,22,25,27)