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2-[N-(4'-<Benzylamino>-5-acetyl-5H-pyrrolo[3,2-d]pyrimidin-2'-yl)acetamido]ethyl Acetate
SpectraBase Compound ID GOMGCvi6s4V
InChI InChI=1S/C21H23N5O4/c1-14(27)25-10-9-18-19(25)20(22-13-17-7-5-4-6-8-17)24-21(23-18)26(15(2)28)11-12-30-16(3)29/h4-10H,11-13H2,1-3H3,(H,22,23,24)
InChIKey KGCVVEJYDZMJCX-UHFFFAOYSA-N
Mol Weight 409.45 g/mol
Molecular Formula C21H23N5O4
Exact Mass 409.175004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1978saFQGm
Name 2-[N-(4'--5-acetyl-5H-pyrrolo[3,2-d]pyrimidin-2'-yl)acetamido]ethyl Acetate
Alternate Name(s) 2-{acetyl[5-acetyl-4-(benzylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino}ethyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N5O4
InChI InChI=1S/C21H23N5O4/c1-14(27)25-10-9-18-19(25)20(22-13-17-7-5-4-6-8-17)24-21(23-18)26(15(2)28)11-12-30-16(3)29/h4-10H,11-13H2,1-3H3,(H,22,23,24)
InChIKey KGCVVEJYDZMJCX-UHFFFAOYSA-N
Molecular Weight 409.446 g/mol
SMILES N(c1nc(nc2c1[n](C(=O)C)cc2)N(C(=O)C)CCOC(=O)C)Cc1ccccc1
SPLASH splash10-0bt9-0096600000-857949cfd184bd7cb7fb
Source of Spectrum G-68-786-9
Wiley ID 1520401