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6-(4-chlorophenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SpectraBase Compound ID KZjyqXoUjIH
InChI InChI=1S/C18H14ClN5/c19-12-8-6-11(7-9-12)15-10-14-16(20)22-18(21)23-17(14)24(15)13-4-2-1-3-5-13/h1-10H,(H4,20,21,22,23)
InChIKey KJXTYSOGMKZQNG-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 Ix7tKiAoO5r
Name 6-(4-chlorophenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Alternate Name(s) 6-(4-chlorophenyl)-7-phenylpyrrolo[2,3-d]pyrimidine-2,4-diamine 6-(4-chlorophenyl)-7-phenyl-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14ClN5
InChI InChI=1S/C18H14ClN5/c19-12-8-6-11(7-9-12)15-10-14-16(20)22-18(21)23-17(14)24(15)13-4-2-1-3-5-13/h1-10H,(H4,20,21,22,23)
InChIKey KJXTYSOGMKZQNG-UHFFFAOYSA-N
Molecular Weight 335.798 g/mol
SMILES Nc1nc(nc2c1cc([n]2-c1ccccc1)-c1ccc(cc1)Cl)N
SPLASH splash10-000i-0009000000-59d8d971e32191144dcb
Source of Spectrum F2-45-5249-11c
Wiley ID 1703840