6-azanyl-5-[2-(azepan-1-ium-1-yl)ethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(azepan-1-ium-1-yl)ethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(azepan-1-ium-1-yl)acetyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(1-azepan-1-iumyl)-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(azepan-1-ium-1-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(azepan-1-ium-1-yl)acetyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C14H23N4O3+ MolecularWeight: 295.35742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCCCCC2)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCCCCC2)N

InChI

InChI=1S/C14H22N4O3/c1-16-12(15)11(13(20)17(2)14(16)21)10(19)9-18-7-5-3-4-6-8-18/h3-9,15H2,1-2H3/p+1