5-[3-(6-azanyl-9-pent-4-ynyl-purin-8-yl)sulfanylphenoxy]-N-oxidanyl-pentanamide

Systemtic Name: 5-[3-(6-azanyl-9-pent-4-ynyl-purin-8-yl)sulfanylphenoxy]-N-oxidanyl-pentanamide Openeye Name: 5-[3-(6-amino-9-pent-4-ynyl-purin-8-yl)sulfanylphenoxy]pentanehydroxamic acid CAS Name: 5-[3-[(6-amino-9-pent-4-ynyl-8-purinyl)thio]phenoxy]-N-hydroxypentanamide IUPAC Name: 5-[3-(6-amino-9-pent-4-ynylpurin-8-yl)sulfanylphenoxy]-N-hydroxypentanamide Traditional Name: 5-[3-[(6-amino-9-pent-4-ynyl-purin-8-yl)thio]phenoxy]pentanehydroxamic acid Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O3S/c1-2-3-5-11-27-20-18(19(22)23-14-24-20)25-21(27)31-16-9-7-8-15(13-16)30-12-6-4-10-17(28)26-29/h1,7-9,13-14,29H,3-6,10-12H2,(H,26,28)(H2,22,23,24)