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4-[2-(2-(Pivaloylamino)-4(3H)-oxo-5,6-dihydro-7(H)-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid
SpectraBase Compound ID 51fDQcEslEc
InChI InChI=1S/C15H16N4O3/c16-15-18-12-11(13(20)19-15)7-10(17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,10H,3,6-7H2,(H,21,22)(H4,16,17,18,19,20)
InChIKey ZWOZKQUIFYQBKM-UHFFFAOYSA-N
Mol Weight 300.32 g/mol
Molecular Formula C15H16N4O3
Exact Mass 300.12224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RDLiMPqdFp
Name 4-[2-(2-(Pivaloylamino)-4(3H)-oxo-5,6-dihydro-7(H)-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N4O3
InChI InChI=1S/C15H16N4O3/c16-15-18-12-11(13(20)19-15)7-10(17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,10H,3,6-7H2,(H,21,22)(H4,16,17,18,19,20)
InChIKey ZWOZKQUIFYQBKM-UHFFFAOYSA-N
Molecular Weight 300.318 g/mol
SMILES NC1=NC2=C(CC(CCc3ccc(C(=O)O)cc3)N2)C(N1)=O
SPLASH splash10-0udi-0902000000-d6a03d26a4dc35654f2f
Source of Spectrum J-61-1265-21
Synonyms 4-[2-(2-(amino)-4(3H)-oxo-5,6-dihydro-7(H)-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid 4-[2-(2-amino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid 4-[2-(2-azanyl-4-oxidanylidene-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid
Wiley ID 1302616