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

Systemtic Name: 6-azanyl-3-ethyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H20N4O4S/c1-2-22-19(26)17(15(25)13-29-16-10-6-7-11-24(16)28)18(21)23(20(22)27)12-14-8-4-3-5-9-14/h3-11H,2,12-13,21H2,1H3