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3-(4-Chlorophenyl)-5-di(iso-pentyl)amino-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID GEBTlNICLsW
InChI InChI=1S/C26H31ClN6O/c1-18(2)14-16-31(17-15-19(3)4)26-28-24-23(25(34)32(26)21-8-6-5-7-9-21)29-30-33(24)22-12-10-20(27)11-13-22/h5-13,18-19H,14-17H2,1-4H3
InChIKey ROZKLRWOVKICKJ-UHFFFAOYSA-N
Mol Weight 479.03 g/mol
Molecular Formula C26H31ClN6O
Exact Mass 478.224787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8g6fproOy99
Name 3-(4-Chlorophenyl)-5-di(iso-pentyl)amino-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31ClN6O
InChI InChI=1S/C26H31ClN6O/c1-18(2)14-16-31(17-15-19(3)4)26-28-24-23(25(34)32(26)21-8-6-5-7-9-21)29-30-33(24)22-12-10-20(27)11-13-22/h5-13,18-19H,14-17H2,1-4H3
InChIKey ROZKLRWOVKICKJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201190201
Molecular Weight 479.028 g/mol
SMILES C1(=Nc2c(C(N1c1ccccc1)=O)nn[n]2-c1ccc(cc1)Cl)N(CCC(C)C)CCC(C)C
SPLASH splash10-002f-9000200000-cfdd7bbd4af37b0938e7
Source of Spectrum CJC-29-992-4d
Synonyms 3-(4-Chlorophenyl)-5-(diisopentylamino)-6-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Wiley ID 1772570