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

Systemtic Name: 6-azanyl-1-(2-methylpropyl)-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-isobutyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-(2-methylpropyl)-5-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-(2-methylpropyl)-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-isobutyl-5-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC=CC=[N+]2[O-])N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC=CC=[N+]2[O-])N

InChI

InChI=1S/C15H18N4O4S/c1-9(2)7-18-13(16)12(14(21)17-15(18)22)10(20)8-24-11-5-3-4-6-19(11)23/h3-6,9H,7-8,16H2,1-2H3,(H,17,21,22)