|
P1R : Summary
Code
|
P1R
|
One-letter code
|
X
|
Molecule name
|
PYRIMIDINE
|
Systematic names
|
|
Formula
|
C4 H4 N2
|
Formal charge
|
0
|
Molecular weight
|
80.088 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
n1cccnc1 |
SMILES
|
CACTVS |
3.341 |
c1cncnc1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cncnc1 |
Canonical SMILES
|
CACTVS |
3.341 |
c1cncnc1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cncnc1 |
|
IUPAC InChI | InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H |
IUPAC InChI key | CZPWVGJYEJSRLH-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
10 (6 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2006-05-02
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|