1,3-dimethyl-5-[[2-(4-propanoylpiperazin-1-ium-1-yl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[[2-(4-propanoylpiperazin-1-ium-1-yl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[[2-(4-propanoylpiperazin-1-ium-1-yl)ethylamino]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[[2-[4-(1-oxopropyl)-1-piperazin-1-iumyl]ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[[2-(4-propanoylpiperazin-1-ium-1-yl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[[2-(4-propionylpiperazin-1-ium-1-yl)ethylamino]methylene]barbituric acid Formula: C16H26N5O4+ MolecularWeight: 352.40874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC[NH+](CC1)CCNC=C2C(=O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCC(=O)N1CC[NH+](CC1)CCNC=C2C(=O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H25N5O4/c1-4-13(22)21-9-7-20(8-10-21)6-5-17-11-12-14(23)18(2)16(25)19(3)15(12)24/h11,17H,4-10H2,1-3H3/p+1