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Acetic acid, trifluoro-, compd. with 2-amino-5,8-dihydro-5-methyl-6,7-diphenyl-4(1H)-pteridinone (1:1)
SpectraBase Compound ID 74ysC2XbqJu
InChI InChI=1S/C19H17N5O.C2HF3O2/c1-24-15(13-10-6-3-7-11-13)14(12-8-4-2-5-9-12)21-17-16(24)18(25)23-19(20)22-17;3-2(4,5)1(6)7/h2-11H,1H3,(H4,20,21,22,23,25);(H,6,7)
InChIKey NYWXCLUZAYANOA-UHFFFAOYSA-N
Mol Weight 445.4 g/mol
Molecular Formula C21H18F3N5O3
Exact Mass 445.136174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wSelqeE8C4
Name Acetic acid, trifluoro-, compd. with 2-amino-5,8-dihydro-5-methyl-6,7-diphenyl-4(1H)-pteridinone (1:1)
CAS Registry Number 55401-59-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F3N5O3
InChI InChI=1S/C19H17N5O.C2HF3O2/c1-24-15(13-10-6-3-7-11-13)14(12-8-4-2-5-9-12)21-17-16(24)18(25)23-19(20)22-17;3-2(4,5)1(6)7/h2-11H,1H3,(H4,20,21,22,23,25);(H,6,7)
InChIKey NYWXCLUZAYANOA-UHFFFAOYSA-N
Molecular Weight 445.402 g/mol
SMILES OC(C(F)(F)F)=O.N1C(=C(N(C2=C1NC(=NC2=O)N)C)c1ccccc1)c1ccccc1
SPLASH splash10-004i-0920000000-ac4a974fa9c9b341f2f5
Source of Spectrum AD-0-959-0
Synonyms 2-Amino-5-methyl-6,7-diphenyl-5,8-dihydro-4(1H)-pteridinone trifluoroacetate N(5)-methyl-6,7-diphenyl-5,8-dihydropterin trifluoroacetate
Wiley ID 1386309