6-azanyl-1,3-dimethyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxopropyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[2-[(1-oxidopyridin-1-ium-2-yl)thio]propanoyl]pyrimidine-2,4-quinone Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H16N4O4S/c1-8(23-9-6-4-5-7-18(9)22)11(19)10-12(15)16(2)14(21)17(3)13(10)20/h4-8H,15H2,1-3H3