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

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

Systemtic Name:N-(4-ethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
Openeye Name:N-(4-ethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
CAS Name:N-(4-ethylphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
IUPAC Name:N-(4-ethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
Traditional Name:N-(4-ethylphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
Formula: C21H19N5OS
MolecularWeight: 389.47346
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4


Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4


InChI

InChI=1S/C21H19N5OS/c1-2-14-5-9-17(10-6-14)26-20(27)16-7-3-15(4-8-16)11-28-21-18-19(23-12-22-18)24-13-25-21/h3-10,12-13H,2,11H2,1H3,(H,26,27)(H,22,23,24,25)


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