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

Systemtic Name: 1-(phenylmethyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(phenylmethyl)-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]barbituric acid Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3/c24-16-15(12-20-8-11-22-9-6-19-7-10-22)17(25)23(18(26)21-16)13-14-4-2-1-3-5-14/h1-5,12,19-20H,6-11,13H2,(H,21,24,26)/p+1