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6H-Purin-6-one, 2-amino-9-[3,3-bis(hydroxymethyl)-4-(phenylmethoxy)butyl]-1,9-dihydro-
SpectraBase Compound ID KwwBAk0D1td
InChI InChI=1S/C18H23N5O4/c19-17-21-15-14(16(26)22-17)20-12-23(15)7-6-18(9-24,10-25)11-27-8-13-4-2-1-3-5-13/h1-5,12,24-25H,6-11H2,(H3,19,21,22,26)
InChIKey VVMPVIGAPVMGRX-UHFFFAOYSA-N
Mol Weight 373.41 g/mol
Molecular Formula C18H23N5O4
Exact Mass 373.175004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7v5Bi81tTOr
Name 6H-Purin-6-one, 2-amino-9-[3,3-bis(hydroxymethyl)-4-(phenylmethoxy)butyl]-1,9-dihydro-
Alternate Name(s) 2-Amino-9-[4-(benzyloxy)-3,3-bis(hydroxymethyl)butyl]-1,9-dihydro-6H-purin-6-one 9-(3-Benzyloxymethyl-4-hydroxy-3-hydroxymethylbutyl)-guanine
CAS Registry Number 119117-18-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N5O4
InChI InChI=1S/C18H23N5O4/c19-17-21-15-14(16(26)22-17)20-12-23(15)7-6-18(9-24,10-25)11-27-8-13-4-2-1-3-5-13/h1-5,12,24-25H,6-11H2,(H3,19,21,22,26)
InChIKey VVMPVIGAPVMGRX-UHFFFAOYSA-N
Molecular Weight 373.413 g/mol
SMILES OCC(CC[n]1cnc2c1N=C(NC2=O)N)(COCc1ccccc1)CO
SPLASH splash10-0006-9420000000-4309aea2472b2eb636ae
Source of Spectrum KC-1988-2771-3
Wiley ID 1356036