60079134
  -OEChem-05092422192D

 47 51  0     1  0  0  0  0  0999 V2000
    5.1396    2.7197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6775    2.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4893    3.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4436    4.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4153    0.9591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4153   -0.6503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    1.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370   -0.3456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3938   -4.8174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6775    2.2170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6793    3.2170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7260    1.9097    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7288    3.5277    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9849    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4214    4.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691    0.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9989    0.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -0.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -1.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370    0.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370   -2.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -2.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370   -3.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -3.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -3.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051   -4.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5833    3.8296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1134    1.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1166    3.6257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3949    1.0749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1755    0.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5749    1.4560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0355    4.5645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4441    5.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9866    1.6778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4256    4.4201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6189    0.1544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2530    5.2789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001    0.9644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001   -2.0356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0060   -2.0356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0060   -3.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -3.8848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079   -5.2789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951   -5.4574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
 10  2  1  1  0  0  0
  2 37  1  0  0  0  0
  3 11  1  0  0  0  0
  3 38  1  0  0  0  0
  4 15  1  0  0  0  0
  4 40  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 19  1  0  0  0  0
  8 21  2  0  0  0  0
  9 25  1  0  0  0  0
  9 28  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 23 26  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60079134

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
585

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgAQCAAADFzhnwY/8P/NlgCgAzZnZACCgC0xEqAJ2aA4dJiLeOLA2dGeZAhvkALbyCfwsMIOCAACAAACAAAQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R)-5-(hydroxymethyl)-2-[6-(1H-indol-5-yl)purin-9-yl]-3-methyl-tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_CAS_NAME>
(3R)-5-(hydroxymethyl)-2-[6-(1H-indol-5-yl)-9-purinyl]-3-methyloxolane-3,4-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>R</I>)-5-(hydroxymethyl)-2-[6-(1<I>H</I>-indol-5-yl)purin-9-yl]-3-methyloxolane-3,4-diol

> <PUBCHEM_IUPAC_NAME>
(3R)-5-(hydroxymethyl)-2-[6-(1H-indol-5-yl)purin-9-yl]-3-methyloxolane-3,4-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R)-5-(hydroxymethyl)-2-[6-(1H-indol-5-yl)purin-9-yl]-3-methyl-oxolane-3,4-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R)-2-[6-(1H-indol-5-yl)purin-9-yl]-3-methyl-5-methylol-tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19N5O4/c1-19(27)16(26)13(7-25)28-18(19)24-9-23-15-14(21-8-22-17(15)24)11-2-3-12-10(6-11)4-5-20-12/h2-6,8-9,13,16,18,20,25-27H,7H2,1H3/t13?,16?,18?,19-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WWTGWRJXHXWXRL-KFKGYSGHSA-N

> <PUBCHEM_XLOGP3_AA>
0.4

> <PUBCHEM_EXACT_MASS>
381.14370410

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19N5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
381.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(C(OC1N2C=NC3=C(N=CN=C32)C4=CC5=C(C=C4)NC=C5)CO)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]1(C(C(OC1N2C=NC3=C(N=CN=C32)C4=CC5=C(C=C4)NC=C5)CO)O)O

> <PUBCHEM_CACTVS_TPSA>
129

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
381.14370410

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
13  15  3
16  18  8
18  19  8
10  2  5
20  22  8
20  23  8
22  24  8
23  26  8
24  25  8
24  27  8
25  26  8
27  28  8
11  3  3
12  5  3
5  16  8
5  17  8
6  17  8
6  18  8
7  16  8
7  21  8
8  19  8
8  21  8
9  25  8
9  28  8

$$$$