1-(4-methoxyphenyl)-5-[1-(2-piperazin-4-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-methoxyphenyl)-5-[1-(2-piperazin-4-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-methoxyphenyl)-5-[1-(2-piperazin-4-ium-1-ylethylamino)ethylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-methoxyphenyl)-5-[1-[2-(1-piperazin-4-iumyl)ethylamino]ethylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-methoxyphenyl)-5-[1-(2-piperazin-4-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-methoxyphenyl)-5-[1-(2-piperazin-4-ium-1-ylethylamino)ethylidene]barbituric acid Formula: C19H26N5O4+ MolecularWeight: 388.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NCCN3CC[NH2+]CC3

Isomeric SMILES

CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NCCN3CC[NH2+]CC3

InChI

InChI=1S/C19H25N5O4/c1-13(21-9-12-23-10-7-20-8-11-23)16-17(25)22-19(27)24(18(16)26)14-3-5-15(28-2)6-4-14/h3-6,20-21H,7-12H2,1-2H3,(H,22,25,27)/p+1