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Amb6601097

Duplicate ID
Molecule Name N-(4-methoxyphenyl)-N~3~-9H-purin-6-yl-beta-alaninamide
3-((9H-purin-6-yl)amino)-N-(4-methoxyphenyl)propanamide
SmilesCOc1ccc(cc1)NC(=O)CCNc1ncnc2c1nc[nH]2
InchiKeyJRAXCFYZNMDHDH-UHFFFAOYSA-N
InChi InChI=1S/C15H16N6O2/c1-23-11-4-2-10(3-5-11)21-12(22)6-7-16-14-13-15(18-8-17-13)20-9-19-14/h2-5,8-9H,6-7H2,1H3,(H,21,22)(H2,16,17,18,19,20)
Formula C15H16N6O2
Molecular weight 312.327
Rings 3
logP 1.9482
PSA 104.82
MR 86.1221
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