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

Systemtic Name: 6-azanyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC=CC=[N+]2[O-])N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC=CC=[N+]2[O-])N

InChI

InChI=1S/C14H16N4O4S/c1-2-6-17-12(15)11(13(20)16-14(17)21)9(19)8-23-10-5-3-4-7-18(10)22/h3-5,7H,2,6,8,15H2,1H3,(H,16,20,21)