70640620
  -OEChem-04252400072D

 37 39  0     1  0  0  0  0  0999 V2000
    5.8055    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1515   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1552    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7577    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.4782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3435    0.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3919    0.0818    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3452    1.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3947    1.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0873    2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0657    0.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454   -0.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794   -0.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2493    2.0017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    1.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7065    3.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    2.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0915    2.5923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3169   -0.3617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6326    0.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8145    0.7720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5672    3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
 11  2  1  1  0  0  0
  2 19  1  0  0  0  0
 13  3  1  1  0  0  0
  3 28  1  0  0  0  0
  4 15  1  0  0  0  0
  4 33  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  2  0  0  0  0
  6 18  1  0  0  0  0
  7 16  2  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  2  0  0  0  0
  9 20  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 21  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  6  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70640620

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
377

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzuAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACBzhlwYH8L9MFgCgAQZhZACAgC0REKABUCAoVBCDWAJAyEAfRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3R,4R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3R,4R)-5-(2,6-diamino-9-purinyl)-2-(hydroxymethyl)-4-methoxy-3-oxolanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>R</I>,4<I>R</I>)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol

> <PUBCHEM_IUPAC_NAME>
(2R,3R,4R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3R,4R)-5-[2,6-bis(azanyl)purin-9-yl]-2-(hydroxymethyl)-4-methoxy-oxolan-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3R,4R)-5-(2,6-diaminopurin-9-yl)-4-methoxy-2-methylol-tetrahydrofuran-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H16N6O4/c1-20-7-6(19)4(2-18)21-10(7)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,7-,10?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
JLWUWXCKSOIFPS-VTHZCTBJSA-N

> <PUBCHEM_XLOGP3>
-1

> <PUBCHEM_EXACT_MASS>
296.12330301

> <PUBCHEM_MOLECULAR_FORMULA>
C11H16N6O4

> <PUBCHEM_MOLECULAR_WEIGHT>
296.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1C(C(OC1N2C=NC3=C(N=C(N=C32)N)N)CO)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CO[C@@H]1[C@@H]([C@H](OC1N2C=NC3=C(N=C(N=C32)N)N)CO)O

> <PUBCHEM_CACTVS_TPSA>
155

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.12330301

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  15  6
16  18  8
18  20  8
11  2  5
13  3  5
12  5  3
5  16  8
5  17  8
6  17  8
6  18  8
7  16  8
7  21  8
8  20  8
8  21  8

$$$$