5-nitro-6-(1-oxidanidylpyridin-1-ium-4-yl)sulfanyl-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 5-nitro-6-(1-oxidanidylpyridin-1-ium-4-yl)sulfanyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 5-nitro-6-(1-oxidopyridin-1-ium-4-yl)sulfanyl-1-propyl-pyrimidine-2,4-dione CAS Name: 5-nitro-6-[(1-oxido-4-pyridin-1-iumyl)thio]-1-propylpyrimidine-2,4-dione IUPAC Name: 5-nitro-6-(1-oxidopyridin-1-ium-4-yl)sulfanyl-1-propylpyrimidine-2,4-dione Traditional Name: 5-nitro-6-[(1-oxidopyridin-1-ium-4-yl)thio]-1-propyl-pyrimidine-2,4-quinone Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SC2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SC2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C12H12N4O5S/c1-2-5-15-11(22-8-3-6-14(19)7-4-8)9(16(20)21)10(17)13-12(15)18/h3-4,6-7H,2,5H2,1H3,(H,13,17,18)