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N-(4-phenylmethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

N-(4-phenylmethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name:N-(4-phenylmethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide
Openeye Name:N-(4-benzyloxyphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CAS Name:N-(4-phenylmethoxyphenyl)-2-(7H-purin-6-ylthio)acetamide
IUPAC Name:N-(4-phenylmethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide
Traditional Name:N-(4-benzoxyphenyl)-2-(7H-purin-6-ylthio)acetamide
Formula: C20H17N5O2S
MolecularWeight: 391.44628
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3NC=N4


Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3NC=N4


InChI

InChI=1S/C20H17N5O2S/c26-17(11-28-20-18-19(22-12-21-18)23-13-24-20)25-15-6-8-16(9-7-15)27-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,25,26)(H,21,22,23,24)


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