![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
MO8 : Summary
Code ![](/pdbe/static/images/help.png)
|
MO8
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C8 H11 N3 S
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
181.258 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
n1c(c2c(nc1N)CCSC2)C |
SMILES
|
CACTVS |
3.341 |
Cc1nc(N)nc2CCSCc12 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1c2c(nc(n1)N)CCSC2 |
Canonical SMILES
|
CACTVS |
3.341 |
Cc1nc(N)nc2CCSCc12 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1c2c(nc(n1)N)CCSC2 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H11N3S/c1-5-6-4-12-3-2-7(6)11-8(9)10-5/h2-4H2,1H3,(H2,9,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ONZWAEXRMZGFAN-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
23 (12 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2009-01-13
|
Last modified at ![](/pdbe/static/images/help.png)
|
2011-06-04
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|