4-azanyl-N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(6-oxidanylidene-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]benzamide

Systemtic Name: 4-azanyl-N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(6-oxidanylidene-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]benzamide Openeye Name: 4-amino-N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(6-oxo-2-thioxo-3,7-dihydropurin-8-yl)vinyl]benzamide CAS Name: 4-amino-N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(6-oxo-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]benzamide IUPAC Name: 4-amino-N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(6-oxo-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]benzamide Traditional Name: 4-amino-N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(6-keto-2-thioxo-3,7-dihydropurin-8-yl)vinyl]benzamide Formula: C21H16N6O4S MolecularWeight: 448.45454

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=C(N3)C(=O)NC(=S)N4)NC(=O)C5=CC=C(C=C5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C3=NC4=C(N3)C(=O)NC(=S)N4)/NC(=O)C5=CC=C(C=C5)N

InChI

InChI=1S/C21H16N6O4S/c22-12-4-2-11(3-5-12)19(28)23-13(7-10-1-6-14-15(8-10)31-9-30-14)17-24-16-18(25-17)26-21(32)27-20(16)29/h1-8H,9,22H2,(H,23,28)(H3,24,25,26,27,29,32)/b13-7+