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

Systemtic Name: 4-[3-(6-azanyl-9-pent-4-ynyl-purin-8-yl)sulfanylphenoxy]-N-oxidanyl-butanamide Openeye Name: 4-[3-(6-amino-9-pent-4-ynyl-purin-8-yl)sulfanylphenoxy]butanehydroxamic acid CAS Name: 4-[3-[(6-amino-9-pent-4-ynyl-8-purinyl)thio]phenoxy]-N-hydroxybutanamide IUPAC Name: 4-[3-(6-amino-9-pent-4-ynylpurin-8-yl)sulfanylphenoxy]-N-hydroxybutanamide Traditional Name: 4-[3-[(6-amino-9-pent-4-ynyl-purin-8-yl)thio]phenoxy]butanehydroxamic acid Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O3S/c1-2-3-4-10-26-19-17(18(21)22-13-23-19)24-20(26)30-15-8-5-7-14(12-15)29-11-6-9-16(27)25-28/h1,5,7-8,12-13,28H,3-4,6,9-11H2,(H,25,27)(H2,21,22,23)