N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(3-ethanoylpyridin-1-ium-1-yl)-N-ethyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(3-ethanoylpyridin-1-ium-1-yl)-N-ethyl-ethanamide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-acetamide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethylacetamide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylacetamide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-acetamide Formula: C22H24N5O4+ MolecularWeight: 422.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H23N5O4/c1-3-26(18(29)14-25-11-7-10-17(13-25)15(2)28)19-20(23)27(22(31)24-21(19)30)12-16-8-5-4-6-9-16/h4-11,13H,3,12,14H2,1-2H3,(H2-,23,24,30,31)/p+1