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(+-)-cis-2-Amino-6-chloro-5-(4-chlorophenyl)azo-4-[2-(hydroxymethyl)cyclopentylmethylamino]pyrimidine
SpectraBase Compound ID ClYiHIfc9rs
InChI InChI=1S/C17H20Cl2N6O/c18-12-4-6-13(7-5-12)24-25-14-15(19)22-17(20)23-16(14)21-8-10-2-1-3-11(10)9-26/h4-7,10-11,26H,1-3,8-9H2,(H3,20,21,22,23)/b25-24+/t10-,11+/m1/s1
InChIKey WPIYGRJBVKJERQ-OYUJJMNWSA-N
Mol Weight 395.29 g/mol
Molecular Formula C17H20Cl2N6O
Exact Mass 394.107565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEd8S7vGUmt
Name (+-)-cis-2-Amino-6-chloro-5-(4-chlorophenyl)azo-4-[2-(hydroxymethyl)cyclopentylmethylamino]pyrimidine
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Formula C17H20Cl2N6O
InChI InChI=1S/C17H20Cl2N6O/c18-12-4-6-13(7-5-12)24-25-14-15(19)22-17(20)23-16(14)21-8-10-2-1-3-11(10)9-26/h4-7,10-11,26H,1-3,8-9H2,(H3,20,21,22,23)/b25-24+/t10-,11+/m1/s1
InChIKey WPIYGRJBVKJERQ-OYUJJMNWSA-N
Molecular Weight 395.294 g/mol
SMILES Nc1nc(c(c(n1)NC[C@@]1([C@](CO)(CCC1)[H])[H])\N=N\c1ccc(Cl)cc1)Cl
SPLASH splash10-03di-2920000000-094beb1e8d4049e013de
Source of Spectrum SO-0-1537-20
Synonyms ((1R,2S)-2-{[2-Amino-6-chloro-5-(4-chloro-phenylazo)-pyrimidin-4-ylamino]-methyl}-cyclopentyl)-methanol {(1S,2R)-2-[({2-amino-6-chloro-5-[(E)-(4-chlorophenyl)diazenyl]-4-pyrimidinyl}amino)methyl]cyclopentyl}methanol
Wiley ID 878653