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(9-benzyl-2-chloro-purin-6-yl)amine
SpectraBase Compound ID GVQHmthwACf
InChI InChI=1S/C12H10ClN5/c13-12-16-10(14)9-11(17-12)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,16,17)
InChIKey HMCPIAFQZBMKOP-UHFFFAOYSA-N
Mol Weight 259.7 g/mol
Molecular Formula C12H10ClN5
Exact Mass 259.062473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bhUHHrZblo
Name (9-benzyl-2-chloro-purin-6-yl)amine
Alternate Name(s) 2-Chloranyl-9-(phenylmethyl)purin-6-amine 2-Chloro-9-(phenylmethyl)-6-purinamine 6-Amino-9-benzyl-2-chloropurine 9-Benzyl-2-chloro-9H-adenine 9-Benzyl-2-chloro-9H-purin-6-amine 9-Benzyl-2-chloro-9H-purin-6-ylamine 9-Benzyl-2-chloro-purin-6-amine 9-Benzyl-2-chloroadenine
CAS Registry Number 56046-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10ClN5
InChI InChI=1S/C12H10ClN5/c13-12-16-10(14)9-11(17-12)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,16,17)
InChIKey HMCPIAFQZBMKOP-UHFFFAOYSA-N
Molecular Weight 259.700 g/mol
SMILES Nc1c2c([n](Cc3ccccc3)cn2)nc(Cl)n1
SPLASH splash10-052f-9070000000-a0500dd33676e820f93d
Source of Spectrum Y-24-860-3
Wiley ID 1262550