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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-ethyl-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-2-(3-hydroxypyridin-1-ium-1-yl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Formula: C20H22N5O4+ MolecularWeight: 396.41978

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-2-24(16(27)13-23-10-6-9-15(26)12-23)17-18(21)25(20(29)22-19(17)28)11-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H3-,21,22,26,28,29)/p+1