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7-Cyano-2-dibutylamino-3,5-diphenyl-3H-pyrrolo[3,2-d]pyrimidine-4(5H)-one
SpectraBase Compound ID 5BjwdH1BL0o
InChI InChI=1S/C27H29N5O/c1-3-5-17-30(18-6-4-2)27-29-24-21(19-28)20-31(22-13-9-7-10-14-22)25(24)26(33)32(27)23-15-11-8-12-16-23/h7-16,20H,3-6,17-18H2,1-2H3
InChIKey XOJJHOGNFQROPX-UHFFFAOYSA-N
Mol Weight 439.56 g/mol
Molecular Formula C27H29N5O
Exact Mass 439.237211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WUxDJEPVw
Name 7-Cyano-2-dibutylamino-3,5-diphenyl-3H-pyrrolo[3,2-d]pyrimidine-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29N5O
InChI InChI=1S/C27H29N5O/c1-3-5-17-30(18-6-4-2)27-29-24-21(19-28)20-31(22-13-9-7-10-14-22)25(24)26(33)32(27)23-15-11-8-12-16-23/h7-16,20H,3-6,17-18H2,1-2H3
InChIKey XOJJHOGNFQROPX-UHFFFAOYSA-N
Molecular Weight 439.563 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)N(CCCC)CCCC)c(C#N)c[n]1-c1ccccc1
SPLASH splash10-03gr-2039300000-a31f76b78579a856d0b4
Source of Spectrum Y-51-E94-6h
Synonyms 2-(dibutylamino)-4-oxo-3,5-diphenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Wiley ID 1741498