6-azanyl-1-butyl-5,5-diethyl-pyrimidin-1-ium-2,4-dione

Systemtic Name: 6-azanyl-1-butyl-5,5-diethyl-pyrimidin-1-ium-2,4-dione Openeye Name: 6-amino-1-butyl-5,5-diethyl-pyrimidin-1-ium-2,4-dione CAS Name: 6-amino-1-butyl-5,5-diethylpyrimidin-1-ium-2,4-dione IUPAC Name: 6-amino-1-butyl-5,5-diethylpyrimidin-1-ium-2,4-dione Traditional Name: 6-amino-1-butyl-5,5-diethyl-pyrimidin-1-ium-2,4-quinone Formula: C12H22N3O2+ MolecularWeight: 240.32198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C(=O)NC1=O)(CC)CC)N

Isomeric SMILES

CCCC[N+]1=C(C(C(=O)NC1=O)(CC)CC)N

InChI

InChI=1S/C12H21N3O2/c1-4-7-8-15-9(13)12(5-2,6-3)10(16)14-11(15)17/h13H,4-8H2,1-3H3,(H,14,16,17)/p+1