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7-Cyano-2-dihexylamino-3,5-diphenyl-3H-pyrrolo[3,2-d]pyrimidine-4(5H)-one
SpectraBase Compound ID Kqo42TaNz5A
InChI InChI=1S/C31H37N5O/c1-3-5-7-15-21-34(22-16-8-6-4-2)31-33-28-25(23-32)24-35(26-17-11-9-12-18-26)29(28)30(37)36(31)27-19-13-10-14-20-27/h9-14,17-20,24H,3-8,15-16,21-22H2,1-2H3
InChIKey SMLCBOUMNHICNJ-UHFFFAOYSA-N
Mol Weight 495.7 g/mol
Molecular Formula C31H37N5O
Exact Mass 495.299811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOnp7rES3AD
Name 7-Cyano-2-dihexylamino-3,5-diphenyl-3H-pyrrolo[3,2-d]pyrimidine-4(5H)-one
Alternate Name(s) 2-(dihexylamino)-4-oxo-3,5-diphenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H37N5O
InChI InChI=1S/C31H37N5O/c1-3-5-7-15-21-34(22-16-8-6-4-2)31-33-28-25(23-32)24-35(26-17-11-9-12-18-26)29(28)30(37)36(31)27-19-13-10-14-20-27/h9-14,17-20,24H,3-8,15-16,21-22H2,1-2H3
InChIKey SMLCBOUMNHICNJ-UHFFFAOYSA-N
Molecular Weight 495.671 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)N(CCCCCC)CCCCCC)c(C#N)c[n]1-c1ccccc1
SPLASH splash10-03fr-2119800000-135f53c80c9ad84bdfbb
Source of Spectrum Y-51-E95-6g
Wiley ID 1742238