
 VU0359460

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    2.6128    2.6318   -0.5204 C   0  0  0  0  0
    3.8091    3.3161   -0.3783 C   0  0  0  0  0
    5.0569    2.2637    0.1325 S   0  0  0  0  0
    4.0461    4.7437   -0.5865 C   0  0  0  0  0
    3.1294    5.5412   -0.7818 O   0  0  0  0  0
    5.3686    5.1464   -0.5609 N   0  0  0  0  0
    5.8478    6.5164   -0.7901 C   0  0  0  0  0
    5.2397    7.4973    0.2264 C   0  0  0  0  0
    7.3770    6.5227   -0.6060 C   0  0  0  0  0
    5.5282    6.9739   -2.2217 C   0  0  0  0  0
    1.4734    3.2513   -0.9137 N   0  0  0  0  0
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    5.2865   -2.6282    1.4230 C   0  0  0  0  0
    5.5152   -4.0576    1.9459 C   0  0  0  0  0
    6.9148   -4.3669    2.2902 N   0  0  0  0  0
    7.4379   -3.5727    3.4237 C   0  0  0  0  0
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    7.0834   -5.8012    2.6217 C   0  0  0  0  0
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    6.0578    4.4104   -0.4654 H   0  0  0  0  0
    4.1640    7.6310    0.0767 H   0  0  0  0  0
    5.7008    8.4882    0.1441 H   0  0  0  0  0
    5.3866    7.1415    1.2524 H   0  0  0  0  0
    7.8630    5.8415   -1.3140 H   0  0  0  0  0
    7.6534    6.1947    0.4029 H   0  0  0  0  0
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M  END

>  <Chemical Name>
VU0359460

>  <PubChem CID>
45142483

>  <Formula>
C19H28N4O3S

>  <Molecular Weight>
392.518000

>  <IUPAC Name>
3-amino-N-tert-butyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=NC2=C1C(=C(S2)C(=O)NC(C)(C)C)N)OCCN3CCOCC3

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C(=C(S2)C(=O)NC(C)(C)C)N)OCCN3CCOCC3

>  <InChI Std. ID>
InChI=1S/C19H28N4O3S/c1-12-11-13(26-10-7-23-5-8-25-9-6-23)21-18-14(12)15(20)16(27-18)17(24)22-19(2,3)4/h11H,5-10,20H2,1-4H3,(H,22,24)

>  <InChI Key>
GKYMJPPLQWFUJW-UHFFFAOYSA-N

