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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(3-ethanoylpyridin-1-ium-1-yl)-N-methyl-ethanamide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-acetamide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-methylacetamide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylacetamide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-methyl-acetamide Formula: C21H22N5O4+ MolecularWeight: 408.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H21N5O4/c1-14(27)16-9-6-10-25(12-16)13-17(28)24(2)18-19(22)26(21(30)23-20(18)29)11-15-7-4-3-5-8-15/h3-10,12H,11,13H2,1-2H3,(H2-,22,23,29,30)/p+1