7-[3-(6-azanyl-9-pent-4-ynyl-purin-8-yl)sulfanylphenoxy]-N-oxidanyl-heptanamide

Systemtic Name: 7-[3-(6-azanyl-9-pent-4-ynyl-purin-8-yl)sulfanylphenoxy]-N-oxidanyl-heptanamide Openeye Name: 7-[3-(6-amino-9-pent-4-ynyl-purin-8-yl)sulfanylphenoxy]heptanehydroxamic acid CAS Name: 7-[3-[(6-amino-9-pent-4-ynyl-8-purinyl)thio]phenoxy]-N-hydroxyheptanamide IUPAC Name: 7-[3-(6-amino-9-pent-4-ynylpurin-8-yl)sulfanylphenoxy]-N-hydroxyheptanamide Traditional Name: 7-[3-[(6-amino-9-pent-4-ynyl-purin-8-yl)thio]phenoxy]heptanehydroxamic acid Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O3S/c1-2-3-7-13-29-22-20(21(24)25-16-26-22)27-23(29)33-18-11-9-10-17(15-18)32-14-8-5-4-6-12-19(30)28-31/h1,9-11,15-16,31H,3-8,12-14H2,(H,28,30)(H2,24,25,26)