N-[(Z)-2-(3-nitrophenyl)-1-(6-oxidanylidene-2-sulfanylidene-5,9-dihydropurin-8-yl)ethenyl]benzamide

Systemtic Name: N-[(Z)-2-(3-nitrophenyl)-1-(6-oxidanylidene-2-sulfanylidene-5,9-dihydropurin-8-yl)ethenyl]benzamide Openeye Name: N-[(Z)-2-(3-nitrophenyl)-1-(6-oxo-2-thioxo-5,9-dihydropurin-8-yl)vinyl]benzamide CAS Name: N-[(Z)-2-(3-nitrophenyl)-1-(6-oxo-2-sulfanylidene-5,9-dihydropurin-8-yl)ethenyl]benzamide IUPAC Name: N-[(Z)-2-(3-nitrophenyl)-1-(6-oxo-2-sulfanylidene-5,9-dihydropurin-8-yl)ethenyl]benzamide Traditional Name: N-[(Z)-1-(6-keto-2-thioxo-5,9-dihydropurin-8-yl)-2-(3-nitrophenyl)vinyl]benzamide Formula: C20H14N6O4S MolecularWeight: 434.42796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4C(=NC(=S)NC4=O)N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=NC4C(=NC(=S)NC4=O)N3

InChI

InChI=1S/C20H14N6O4S/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/h1-10,15H,(H,21,27)(H2,22,23,24,25,28,31)/b14-10-