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2-(benzylamino)-6-[(1R,2S)-1,2-dibenzoxy-3-hydroxy-propyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 8i52wIFFqb7
InChI InChI=1S/C33H34N4O5/c1-2-40-33(39)29-31(34-18-24-12-6-3-7-13-24)36-37-20-27(19-35-32(29)37)30(42-23-26-16-10-5-11-17-26)28(21-38)41-22-25-14-8-4-9-15-25/h3-17,19-20,28,30,38H,2,18,21-23H2,1H3,(H,34,36)/t28-,30+/m0/s1
InChIKey IXLVUBPHCGNFKI-MFMCTBQISA-N
Mol Weight 566.7 g/mol
Molecular Formula C33H34N4O5
Exact Mass 566.25292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3qlRUVULIM
Name 2-(benzylamino)-6-[(1R,2S)-1,2-dibenzoxy-3-hydroxy-propyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
Alternate Name(s) 6-[(1R,2S)-3-hydroxy-1,2-bis(phenylmethoxy)propyl]-2-[(phenylmethyl)amino]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester Ethyl 2-(benzylamino)-6-[(1R,2S)-1,2-dibenzyloxy-3-hydroxy-propyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate Ethyl 2-(benzylamino)-6-[(1R,2S)-3-hydroxy-1,2-bis(phenylmethoxy)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate Ethyl 6-[(1R,2S)-3-oxidanyl-1,2-bis(phenylmethoxy)propyl]-2-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
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Formula C33H34N4O5
InChI InChI=1S/C33H34N4O5/c1-2-40-33(39)29-31(34-18-24-12-6-3-7-13-24)36-37-20-27(19-35-32(29)37)30(42-23-26-16-10-5-11-17-26)28(21-38)41-22-25-14-8-4-9-15-25/h3-17,19-20,28,30,38H,2,18,21-23H2,1H3,(H,34,36)/t28-,30+/m0/s1
InChIKey IXLVUBPHCGNFKI-MFMCTBQISA-N
Molecular Weight 566.658 g/mol
SMILES N(c1n[n]2c(N=CC([C@]([C@](CO)(OCc3ccccc3)[H])(OCc3ccccc3)[H])=C2)c1C(=O)OCC)Cc1ccccc1
SPLASH splash10-0006-9000310000-4eb085d3e0ea3d84258e
Source of Spectrum C5-2004-2867-6
Wiley ID 1617543