6-azanyl-5-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 5-[2-(3-acetylpyridin-1-ium-1-yl)acetyl]-6-amino-1-benzyl-3-ethyl-pyrimidine-2,4-dione CAS Name: 5-[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]-6-amino-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 5-[2-(3-acetylpyridin-1-ium-1-yl)acetyl]-6-amino-1-benzyl-3-ethylpyrimidine-2,4-dione Traditional Name: 5-[2-(3-acetylpyridin-1-ium-1-yl)acetyl]-6-amino-1-benzyl-3-ethyl-pyrimidine-2,4-quinone Formula: C22H23N4O4+ MolecularWeight: 407.44242

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H22N4O4/c1-3-25-21(29)19(18(28)14-24-11-7-10-17(13-24)15(2)27)20(23)26(22(25)30)12-16-8-5-4-6-9-16/h4-11,13H,3,12,14H2,1-2H3,(H-,23,28,29)/p+1