3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-diazinane-2,4-dione

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-diazinane-2,4-dione Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]hexahydropyrimidine-2,4-dione CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3-diazinane-2,4-dione IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-diazinane-2,4-dione Traditional Name: 3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5,6-dihydrouracil Formula: C13H19N6O2+ MolecularWeight: 291.32896

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)N(C1=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CNC(=O)N(C1=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C13H18N6O2/c20-11-2-5-16-13(21)19(11)10-17-6-8-18(9-7-17)12-14-3-1-4-15-12/h1,3-4H,2,5-10H2,(H,16,21)/p+1