3213217
  -OEChem-05142412242D

 47 50  0     0  0  0  0  0  0999 V2000
    6.4260    0.8017    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9990   -2.8480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0525    3.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.7538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.7670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.7912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -2.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923    1.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810   -2.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176    1.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6864   -3.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564    2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6864   -3.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9166    3.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0214   -1.7374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8196   -1.7466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8063   -1.3671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4105   -0.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.8530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.8876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.0658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9780    2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5821    1.6812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7921   -2.6479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376    1.7945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248    2.4216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2977    1.8088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2707    1.7127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6666    2.4045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3200   -4.2942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0489   -4.3008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2287    3.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4524    4.1099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6046    4.3336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 25  1  0  0  0  0
  3 24  1  0  0  0  0
  3 26  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  2  0  0  0  0
  5 14  1  0  0  0  0
  6 11  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 15  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  2  0  0  0  0
 15 21  2  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 24  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  2  0  0  0  0
 23 43  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3213217

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
503

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAASAAAAA8WIAAAAAAAACx/AAAHgQAAAAADAzh3gYzxfMIFEioA6xy5ACC2CFlKDAJmDGuTNgOJvLk/buHOSjkwBHY6YeYkcIOAAACAAACAAAAAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-furylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-furanylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(furan-2-ylmethyl)-<I>N</I>-(2-methoxyethyl)-9-methyl-4<I>H</I>-[1,3]thiazino[6,5-b]quinolin-2-imine

> <PUBCHEM_IUPAC_NAME>
3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[3-(2-furfuryl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-ylidene]-(2-methoxyethyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21N3O2S/c1-14-5-3-6-15-11-16-12-23(13-17-7-4-9-25-17)20(21-8-10-24-2)26-19(16)22-18(14)15/h3-7,9,11H,8,10,12-13H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
FIUFLAMLZBCURL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
367.13544809

> <PUBCHEM_MOLECULAR_FORMULA>
C20H21N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
367.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C(=CC=C1)C=C3CN(C(=NCCOC)SC3=N2)CC4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C(=CC=C1)C=C3CN(C(=NCCOC)SC3=N2)CC4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
76.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.13544809

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
12  13  8
13  14  8
13  17  8
14  16  8
15  21  8
16  18  8
17  19  8
18  19  8
2  15  8
2  25  8
21  23  8
23  25  8
5  10  8
5  14  8
8  10  8
8  12  8

$$$$