3-[2-[6-azanyl-8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]-N-oxidanyl-propanamide

Systemtic Name: 3-[2-[6-azanyl-8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]-N-oxidanyl-propanamide Openeye Name: 3-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]propanehydroxamic acid CAS Name: 3-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-purinyl]ethylamino]-N-hydroxypropanamide IUPAC Name: 3-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]-N-hydroxypropanamide Traditional Name: 3-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)thio]purin-9-yl]ethylamino]propanehydroxamic acid Formula: C17H18BrN7O4S MolecularWeight: 496.33832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCNCCC(=O)NO)N=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCNCCC(=O)NO)N=CN=C4N

InChI

InChI=1S/C17H18BrN7O4S/c18-9-5-10-11(29-8-28-10)6-12(9)30-17-23-14-15(19)21-7-22-16(14)25(17)4-3-20-2-1-13(26)24-27/h5-7,20,27H,1-4,8H2,(H,24,26)(H2,19,21,22)