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N-(4-phenoxyphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide

N-(4-phenoxyphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide

Systemtic Name:N-(4-phenoxyphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
Openeye Name:N-(4-phenoxyphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
CAS Name:N-(4-phenoxyphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
IUPAC Name:N-(4-phenoxyphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
Traditional Name:N-(4-phenoxyphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
Formula: C25H19N5O2S
MolecularWeight: 453.51566
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NC5=C4NC=N5


Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NC5=C4NC=N5


InChI

InChI=1S/C25H19N5O2S/c31-24(30-19-10-12-21(13-11-19)32-20-4-2-1-3-5-20)18-8-6-17(7-9-18)14-33-25-22-23(27-15-26-22)28-16-29-25/h1-13,15-16H,14H2,(H,30,31)(H,26,27,28,29)


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