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2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2,5-diethoxyphenyl)ethanamide

2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2,5-diethoxyphenyl)ethanamide

Systemtic Name:2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2,5-diethoxyphenyl)ethanamide
Openeye Name:2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CAS Name:2-[(6-amino-7H-purin-8-yl)thio]-N-(2,5-diethoxyphenyl)acetamide
IUPAC Name:2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
Traditional Name:2-[(6-amino-7H-purin-8-yl)thio]-N-(2,5-diethoxyphenyl)acetamide
Formula: C17H20N6O3S
MolecularWeight: 388.4441
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N


Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N


InChI

InChI=1S/C17H20N6O3S/c1-3-25-10-5-6-12(26-4-2)11(7-10)21-13(24)8-27-17-22-14-15(18)19-9-20-16(14)23-17/h5-7,9H,3-4,8H2,1-2H3,(H,21,24)(H3,18,19,20,22,23)


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