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N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7H-purin-6-ylsulfanyl)ethanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7H-purin-6-ylsulfanyl)ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NC3=C2NC=N3)OC
Isomeric SMILES
COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NC3=C2NC=N3)OC
InChI
InChI=1S/C17H19N5O3S/c1-24-12-4-3-11(7-13(12)25-2)5-6-18-14(23)8-26-17-15-16(20-9-19-15)21-10-22-17/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,18,23)(H,19,20,21,22)
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