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Benzenepropanamide, .alpha.-amino-N-[3-[6-(dimethylamino)-9H-purin-9-yl]-2-hydroxycyclopentyl]-4-methoxy-, [1R-[1.alpha.(S*),2.alpha.,3.beta.]]-
SpectraBase Compound ID JRcwrSrLtcc
InChI InChI=1S/C22H29N7O3/c1-28(2)20-18-21(25-11-24-20)29(12-26-18)17-9-8-16(19(17)30)27-22(31)15(23)10-13-4-6-14(32-3)7-5-13/h4-7,11-12,15-17,19,30H,8-10,23H2,1-3H3,(H,27,31)
InChIKey IYENWKKNJMYMDM-UHFFFAOYSA-N
Mol Weight 439.52 g/mol
Molecular Formula C22H29N7O3
Exact Mass 439.233188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33EE7XO9eFB
Name Benzenepropanamide, .alpha.-amino-N-[3-[6-(dimethylamino)-9H-purin-9-yl]-2-hydroxycyclopentyl]-4-methoxy-, [1R-[1.alpha.(S*),2.alpha.,3.beta.]]-
CAS Registry Number 34597-43-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29N7O3
InChI InChI=1S/C22H29N7O3/c1-28(2)20-18-21(25-11-24-20)29(12-26-18)17-9-8-16(19(17)30)27-22(31)15(23)10-13-4-6-14(32-3)7-5-13/h4-7,11-12,15-17,19,30H,8-10,23H2,1-3H3,(H,27,31)
InChIKey IYENWKKNJMYMDM-UHFFFAOYSA-N
Molecular Weight 439.520 g/mol
SMILES OC1C(CCC1NC(C(Cc1ccc(cc1)OC)N)=O)[n]1cnc2c1ncnc2N(C)C
SPLASH splash10-0w29-1925000000-2c07481c344776cb30bf
Source of Spectrum EP-7191-0-0
Synonyms 2-Amino-N-(3-[6-(dimethylamino)-9H-purin-9-yl]-2-hydroxycyclopentyl)-3-(4-methoxyphenyl)propanamide 2-Amino-N-[3-[6-(dimethylamino)-9-purinyl]-2-hydroxycyclopentyl]-3-(4-methoxyphenyl)propanamide 2-Amino-N-[3-[6-(dimethylamino)purin-9-yl]-2-hydroxy-cyclopentyl]-3-(4-methoxyphenyl)propanamide 2-Amino-N-[3-[6-(dimethylamino)purin-9-yl]-2-hydroxy-cyclopentyl]-3-(4-methoxyphenyl)propionamide 2-Azanyl-N-[3-[6-(dimethylamino)purin-9-yl]-2-oxidanyl-cyclopentyl]-3-(4-methoxyphenyl)propanamide
Wiley ID 1384403