1-(furan-2-ylmethyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(furan-2-ylmethyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2-furylmethyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-furanylmethyl)-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(furan-2-ylmethyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2-furfuryl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]barbituric acid Formula: C16H22N5O4+ MolecularWeight: 348.37698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3

InChI

InChI=1S/C16H21N5O4/c22-14-13(10-18-5-8-20-6-3-17-4-7-20)15(23)21(16(24)19-14)11-12-2-1-9-25-12/h1-2,9-10,17-18H,3-8,11H2,(H,19,22,24)/p+1