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

Systemtic Name: 6-azanyl-3-ethyl-5-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]pyrimidine-2,4-quinone Formula: C20H21N4O4+ MolecularWeight: 381.40514

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-2-23-19(27)17(16(26)13-22-10-6-9-15(25)12-22)18(21)24(20(23)28)11-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H2-,21,25,26,27)/p+1