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3-(4-Chlorophenyl)-7-cyano-2-dipropylamino-5-phenyl-3H-pyrrolo[3,2-d]pyrimidine-4(5H)-one
SpectraBase Compound ID 38ibgMzANxD
InChI InChI=1S/C25H24ClN5O/c1-3-14-29(15-4-2)25-28-22-18(16-27)17-30(20-8-6-5-7-9-20)23(22)24(32)31(25)21-12-10-19(26)11-13-21/h5-13,17H,3-4,14-15H2,1-2H3
InChIKey XQXMKEVSMPHBTD-UHFFFAOYSA-N
Mol Weight 445.95 g/mol
Molecular Formula C25H24ClN5O
Exact Mass 445.166938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rwvWF9f6sh
Name 3-(4-Chlorophenyl)-7-cyano-2-dipropylamino-5-phenyl-3H-pyrrolo[3,2-d]pyrimidine-4(5H)-one
Alternate Name(s) 3-(4-Chlorophenyl)-7-cyano-2-dipropylamino-5-phenyl-3Hpyrrolo[3,2-d]pyrimidine-4(5H)-one 3-(4-Chlorophenyl)-2-(dipropylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24ClN5O
InChI InChI=1S/C25H24ClN5O/c1-3-14-29(15-4-2)25-28-22-18(16-27)17-30(20-8-6-5-7-9-20)23(22)24(32)31(25)21-12-10-19(26)11-13-21/h5-13,17H,3-4,14-15H2,1-2H3
InChIKey XQXMKEVSMPHBTD-UHFFFAOYSA-N
Molecular Weight 445.954 g/mol
SMILES c12c(N=C(N(C2=O)c2ccc(Cl)cc2)N(CCC)CCC)c(C#N)c[n]1-c1ccccc1
SPLASH splash10-0h4k-2129700000-0ee710723e9b10f7d38e
Source of Spectrum Y-51-E96-6i
Wiley ID 1742236