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

Systemtic Name: 1-cyclohexyl-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[(1-prop-2-ynylindol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[(1-prop-2-ynyl-3-indolyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[(1-propargylindol-3-yl)methylene]barbituric acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C22H21N3O3/c1-2-12-24-14-15(17-10-6-7-11-19(17)24)13-18-20(26)23-22(28)25(21(18)27)16-8-4-3-5-9-16/h1,6-7,10-11,13-14,16H,3-5,8-9,12H2,(H,23,26,28)