Mrv0541 11041415432D          

 14 14  0  0  0  0            999 V2000
    5.7288   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0144   -5.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0144   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7288   -6.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4433   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4433   -5.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1577   -6.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7288   -3.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2999   -6.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2999   -7.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7287   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0143   -2.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9860   -1.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <ID>
CHEBI:51079

> <NAME>
GS26575

> <DEFINITION>
A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a methylsulfanyl group at position 6 and a tert-buty group at the amino nitrogen atom.

> <STAR>
3

> <SYNONYM>
M1; deethylterbutryne; 2-methylthio-4-tert-butylamino-6-amino-s-triazine

> <IUPAC_NAME>
N-tert-butyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine

> <FORMULA>
C8H15N5S

> <MASS>
213.30300

> <MONOISOTOPIC_MASS>
213.10482

> <CHARGE>
0

> <SMILES>
CSc1nc(N)nc(NC(C)(C)C)n1

> <INCHI>
InChI=1S/C8H15N5S/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)

> <INCHIKEY>
MWWBDLRPMWTLRX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
516009

> <CAS_REGISTRY_NUMBER>
30125-65-6

> <REAXYS_REGISTRY_NUMBER>
516009

> <PUBMED_CITATION>
14987947; 18977497

$$$$