2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-N-(7H-purin-6-yl)dodecanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-N-(7H-purin-6-yl)dodecanamide Openeye Name: 2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-N-(7H-purin-6-yl)dodecanamide CAS Name: 2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-N-(7H-purin-6-yl)dodecanamide IUPAC Name: 2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-N-(7H-purin-6-yl)dodecanamide Traditional Name: 2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-N-(7H-purin-6-yl)lauramide Formula: C29H35N5O5S MolecularWeight: 565.6837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)NC1=NC=NC2=C1NC=N2)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)O

Isomeric SMILES

CCCCCCCCCCC(C(=O)NC1=NC=NC2=C1NC=N2)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C29H35N5O5S/c1-2-3-4-5-6-7-8-9-10-25(29(36)34-28-26-27(31-19-30-26)32-20-33-28)39-22-13-17-24(18-14-22)40(37,38)23-15-11-21(35)12-16-23/h11-20,25,35H,2-10H2,1H3,(H2,30,31,32,33,34,36)