6-[3-(6-azanyl-9-pent-4-ynyl-purin-8-yl)sulfanylphenoxy]-N-oxidanyl-hexanamide

Systemtic Name: 6-[3-(6-azanyl-9-pent-4-ynyl-purin-8-yl)sulfanylphenoxy]-N-oxidanyl-hexanamide Openeye Name: 6-[3-(6-amino-9-pent-4-ynyl-purin-8-yl)sulfanylphenoxy]hexanehydroxamic acid CAS Name: 6-[3-[(6-amino-9-pent-4-ynyl-8-purinyl)thio]phenoxy]-N-hydroxyhexanamide IUPAC Name: 6-[3-(6-amino-9-pent-4-ynylpurin-8-yl)sulfanylphenoxy]-N-hydroxyhexanamide Traditional Name: 6-[3-[(6-amino-9-pent-4-ynyl-purin-8-yl)thio]phenoxy]hexanehydroxamic acid Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=CC(=C3)OCCCCCC(=O)NO

Isomeric SMILES

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=CC(=C3)OCCCCCC(=O)NO

InChI

InChI=1S/C22H26N6O3S/c1-2-3-6-12-28-21-19(20(23)24-15-25-21)26-22(28)32-17-10-8-9-16(14-17)31-13-7-4-5-11-18(29)27-30/h1,8-10,14-15,30H,3-7,11-13H2,(H,27,29)(H2,23,24,25)