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7-Cyano-3,5-diphenyl-2-(4-methylphenoxy)-3H-pyrrolo[3,2-d]pyrimidine-4(5H)-one
SpectraBase Compound ID 6NK40laXws8
InChI InChI=1S/C26H18N4O2/c1-18-12-14-22(15-13-18)32-26-28-23-19(16-27)17-29(20-8-4-2-5-9-20)24(23)25(31)30(26)21-10-6-3-7-11-21/h2-15,17H,1H3
InChIKey SMLKSSVIZSFAML-UHFFFAOYSA-N
Mol Weight 418.46 g/mol
Molecular Formula C26H18N4O2
Exact Mass 418.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5s2jMLMRiJc
Name 7-Cyano-3,5-diphenyl-2-(4-methylphenoxy)-3H-pyrrolo[3,2-d]pyrimidine-4(5H)-one
Alternate Name(s) 4-Oxo-3,5-diphenyl-2-(p-tolyloxy)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H18N4O2
InChI InChI=1S/C26H18N4O2/c1-18-12-14-22(15-13-18)32-26-28-23-19(16-27)17-29(20-8-4-2-5-9-20)24(23)25(31)30(26)21-10-6-3-7-11-21/h2-15,17H,1H3
InChIKey SMLKSSVIZSFAML-UHFFFAOYSA-N
Molecular Weight 418.456 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)Oc2ccc(cc2)C)c(C#N)c[n]1-c1ccccc1
SPLASH splash10-002b-7590100000-45e57304b1f671b48fd9
Source of Spectrum Y-51-E96-6l
Wiley ID 1742233