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N-(2,5-dimethoxyphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide

N-(2,5-dimethoxyphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide

Systemtic Name:N-(2,5-dimethoxyphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
Openeye Name:N-(2,5-dimethoxyphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
CAS Name:N-(2,5-dimethoxyphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
IUPAC Name:N-(2,5-dimethoxyphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
Traditional Name:N-(2,5-dimethoxyphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
Formula: C21H19N5O3S
MolecularWeight: 421.47226
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4


Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4


InChI

InChI=1S/C21H19N5O3S/c1-28-15-7-8-17(29-2)16(9-15)26-20(27)14-5-3-13(4-6-14)10-30-21-18-19(23-11-22-18)24-12-25-21/h3-9,11-12H,10H2,1-2H3,(H,26,27)(H,22,23,24,25)


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