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

Systemtic Name: 1-cyclohexyl-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[(1,2,5-triphenylpyrrol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[(1,2,5-triphenyl-3-pyrrolyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[(1,2,5-triphenylpyrrol-3-yl)methylene]barbituric acid Formula: C33H29N3O3 MolecularWeight: 515.60166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CC3=C(N(C(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NC2=O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CC3=C(N(C(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NC2=O

InChI

InChI=1S/C33H29N3O3/c37-31-28(32(38)36(33(39)34-31)27-19-11-4-12-20-27)21-25-22-29(23-13-5-1-6-14-23)35(26-17-9-3-10-18-26)30(25)24-15-7-2-8-16-24/h1-3,5-10,13-18,21-22,27H,4,11-12,19-20H2,(H,34,37,39)