3-[(Z)-2-benzamido-2-(6-oxidanylidene-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 3-[(Z)-2-benzamido-2-(6-oxidanylidene-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]-N-oxidanyl-benzeneamine oxide Openeye Name: 3-[(Z)-2-benzamido-2-(6-oxo-2-thioxo-3,7-dihydropurin-8-yl)vinyl]-N-hydroxy-benzeneamine oxide CAS Name: 3-[(Z)-2-benzamido-2-(6-oxo-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]-N-hydroxybenzeneamine oxide IUPAC Name: 3-[(Z)-2-benzamido-2-(6-oxo-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]-N-hydroxybenzeneamine oxide Traditional Name: 3-[(Z)-2-benzamido-2-(6-keto-2-thioxo-3,7-dihydropurin-8-yl)vinyl]-N-hydroxy-benzeneamine oxide Formula: C20H16N6O4S MolecularWeight: 436.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[NH+](O)[O-])C3=NC4=C(N3)C(=O)NC(=S)N4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[NH+](O)[O-])/C3=NC4=C(N3)C(=O)NC(=S)N4

InChI

InChI=1S/C20H16N6O4S/c27-18(12-6-2-1-3-7-12)21-14(10-11-5-4-8-13(9-11)26(29)30)16-22-15-17(23-16)24-20(31)25-19(15)28/h1-10,26,29H,(H,21,27)(H3,22,23,24,25,28,31)/b14-10-