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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=O

InChI

InChI=1S/C19H25N5O4/c1-28-15-4-2-14(3-5-15)13-24-18(26)16(17(25)22-19(24)27)12-21-8-11-23-9-6-20-7-10-23/h2-5,12,20-21H,6-11,13H2,1H3,(H,22,25,27)/p+1