N-oxidanyl-4-[2-sulfanylidene-6-(1,3-thiazol-2-ylcarbamoyl)-1H-pyrimidin-4-yl]cyclohepta-2,4,6-trien-1-amine oxide

Systemtic Name: N-oxidanyl-4-[2-sulfanylidene-6-(1,3-thiazol-2-ylcarbamoyl)-1H-pyrimidin-4-yl]cyclohepta-2,4,6-trien-1-amine oxide Openeye Name: N-hydroxy-4-[6-(thiazol-2-ylcarbamoyl)-2-thioxo-1H-pyrimidin-4-yl]cyclohepta-2,4,6-trien-1-amine oxide CAS Name: N-hydroxy-4-[6-[oxo-(2-thiazolylamino)methyl]-2-sulfanylidene-1H-pyrimidin-4-yl]-1-cyclohepta-2,4,6-trienamine oxide IUPAC Name: N-hydroxy-4-[2-sulfanylidene-6-(1,3-thiazol-2-ylcarbamoyl)-1H-pyrimidin-4-yl]cyclohepta-2,4,6-trien-1-amine oxide Traditional Name: N-hydroxy-4-[6-(thiazol-2-ylcarbamoyl)-2-thioxo-1H-pyrimidin-4-yl]cyclohepta-2,4,6-trien-1-amine oxide Formula: C15H13N5O3S2 MolecularWeight: 375.42542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC(=C1)C2=NC(=S)NC(=C2)C(=O)NC3=NC=CS3)[NH+](O)[O-]

Isomeric SMILES

C1=CC(C=CC(=C1)C2=NC(=S)NC(=C2)C(=O)NC3=NC=CS3)[NH+](O)[O-]

InChI

InChI=1S/C15H13N5O3S2/c21-13(19-15-16-6-7-25-15)12-8-11(17-14(24)18-12)9-2-1-3-10(5-4-9)20(22)23/h1-8,10,20,22H,(H,16,19,21)(H,17,18,24)