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

Systemtic Name: 6-azanyl-3-methyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-methyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-methyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-methyl-5-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H18N4O4S/c1-21-18(25)16(14(24)12-28-15-9-5-6-10-23(15)27)17(20)22(19(21)26)11-13-7-3-2-4-8-13/h2-10H,11-12,20H2,1H3