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3-Amino-4-imino-6-(4-chlorophenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine
SpectraBase Compound ID 7Oq926jbrOh
InChI InChI=1S/C18H14ClN5/c19-13-8-6-12(7-9-13)16-10-15-17(20)23(21)11-22-18(15)24(16)14-4-2-1-3-5-14/h1-11,20H,21H2
InChIKey KJJVHLOGCUZWON-UHFFFAOYSA-N
Mol Weight 335.8 g/mol
Molecular Formula C18H14ClN5
Exact Mass 335.093773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUj9JQFN6VL
Name 3-Amino-4-imino-6-(4-chlorophenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14ClN5
InChI InChI=1S/C18H14ClN5/c19-13-8-6-12(7-9-13)16-10-15-17(20)23(21)11-22-18(15)24(16)14-4-2-1-3-5-14/h1-11,20H,21H2
InChIKey KJJVHLOGCUZWON-UHFFFAOYSA-N
Molecular Weight 335.798 g/mol
SMILES N=C1c2c(N=CN1N)[n](c(c2)-c1ccc(cc1)Cl)-c1ccccc1
SPLASH splash10-000i-0009000000-59d8d971e32191144dcb
Source of Spectrum F2-45-5247-3c
Synonyms 6-(4-chlorophenyl)-4-imino-7-phenyl-3-pyrrolo[2,3-d]pyrimidinamine 6-(4-chlorophenyl)-4-imino-7-phenylpyrrolo[2,3-d]pyrimidin-3-amine 6-(4-chlorophenyl)-4-imino-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-amine 4-azanylidene-6-(4-chlorophenyl)-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-amine
Wiley ID 1714797