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1056016-06-8

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Basic Information
CAS No.: 1056016-06-8
Name: 2-[[9-(1-Methylethyl)-6-[[3-(2-pyridinyl)phenyl]amino]-9H-purin-2-yl]amino]-1-butanoldihydrochloride
Article Data: 2
Molecular Structure:
Molecular Structure of 1056016-06-8 (2-[[9-(1-Methylethyl)-6-[[3-(2-pyridinyl)phenyl]amino]-9H-purin-2-yl]amino]-1-butanoldihydrochloride)
Formula: C23H29Cl2N7O
Molecular Weight: 417.514
Synonyms: (R)-DRF053 dihydrochloride;2-[[9-(1-Methylethyl)-6-[[3-(2-pyridinyl)phenyl]amino]-9H-purin-2-yl]amino]-1-butanoldihydrochloride;(R)-DRF053;1-Butanol, 2-[[9-(1-Methylethyl)-6-[[3-(2-pyridinyl)phenyl]aMino]-9H-purin-2-yl]aMino]-, (2R)-
PSA: 100.78000
LogP: 4.54160
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Specification

This chemical is called 1-Butanol, 2-[[9-(1-methylethyl)-6-[[3-(2-pyridinyl)phenyl]amino]-9H-purin-2-yl]amino]-, (2R)-, and its systematic name is (2R)-2-[(9-Isopropyl-6-{[3-(pyridin-2-yl)phenyl]amino}-9H-purin-2-yl)amino]butan-1-ol dihydrochloride. With the molecular formula of C23H29Cl2N7O, its molecular weight is 490.43. The CAS registry number of this chemical is 1056016-06-8.

You can still convert the following datas into molecular structure:
1.SMILES: CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)c4ccccn4.Cl.Cl
2.InChI: InChI=1/C23H27N7O.2ClH/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-9-7-8-16(12-18)19-10-5-6-11-24-19;;/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29);2*1H/t17-;;/m1../s
3.InChIKey: BQPRBNGSDBTKAK-ZEECNFPPBJ