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

Systemtic Name: 6-azanyl-3-methyl-1-(2-methylpropyl)-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-isobutyl-3-methyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-isobutyl-3-methyl-5-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C16H20N4O4S MolecularWeight: 364.4194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC=CC=[N+]2[O-])N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC=CC=[N+]2[O-])N

InChI

InChI=1S/C16H20N4O4S/c1-10(2)8-19-14(17)13(15(22)18(3)16(19)23)11(21)9-25-12-6-4-5-7-20(12)24/h4-7,10H,8-9,17H2,1-3H3