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2-[[2-chloranyl-4,8-bis[(phenylmethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

View entire compound with spectra: 1 MS (GC)

2-[[2-chloranyl-4,8-bis[(phenylmethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SpectraBase Compound ID AtqmmLsIB0D
InChI InChI=1S/C22H22ClN7O/c23-21-27-17-18(19(29-21)25-13-15-7-3-1-4-8-15)28-22(24-11-12-31)30-20(17)26-14-16-9-5-2-6-10-16/h1-10,31H,11-14H2,(H,25,27,29)(H2,24,26,28,30)
InChIKey URKBOGAOVCMIKY-UHFFFAOYSA-N
Mol Weight 435.92 g/mol
Molecular Formula C22H22ClN7O
Exact Mass 435.157436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zfVy8RU0SY
Name 2-[[2-chloranyl-4,8-bis[(phenylmethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
Alternate Name(s) 2-[[2-chloro-4,8-bis[(phenylmethyl)amino]-6-pyrimido[5,4-d]pyrimidinyl]amino]ethanol 2-[[4,8-bis(benzylamino)-2-chloro-pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22ClN7O
InChI InChI=1S/C22H22ClN7O/c23-21-27-17-18(19(29-21)25-13-15-7-3-1-4-8-15)28-22(24-11-12-31)30-20(17)26-14-16-9-5-2-6-10-16/h1-10,31H,11-14H2,(H,25,27,29)(H2,24,26,28,30)
InChIKey URKBOGAOVCMIKY-UHFFFAOYSA-N
Molecular Weight 435.919 g/mol
SMILES N(c1nc(nc2c(nc(nc12)Cl)NCc1ccccc1)NCCO)Cc1ccccc1
SPLASH splash10-000f-8000900000-31837a335f84ab482beb
Source of Spectrum K-2002-113-6
Wiley ID 1580677