Marvin  07081015032D          

 10 11  0  0  0  0            999 V2000
    1.6520   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6520    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2230   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4914   -0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4914    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4914    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    1.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2230    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  6  2  1  0  0  0  0
 10  4  1  0  0  0  0
  4  3  1  0  0  0  0
  3  1  1  0  0  0  0
  1  2  2  0  0  0  0
  4  5  2  0  0  0  0
 10  7  1  0  0  0  0
 10  6  1  0  0  0  0
  9  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:29147

> <NAME>
3,N(4)-ethenocytosine

> <STAR>
3

> <SYNONYM>
ethenocytosine; 3,N(4)-Ethanocytosine

> <IUPAC_NAME>
imidazo[1,2-c]pyrimidin-5(6H)-one

> <FORMULA>
C6H5N3O

> <MASS>
135.12340

> <MONOISOTOPIC_MASS>
135.04326

> <CHARGE>
0

> <SMILES>
O=c1[nH]ccc2nccn12

> <INCHI>
InChI=1S/C6H5N3O/c10-6-8-2-1-5-7-3-4-9(5)6/h1-4H,(H,8,10)

> <INCHIKEY>
GICKXGZWALFYHZ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
607434

> <CAS_REGISTRY_NUMBER>
55662-66-3

> <CHEMIDPLUS>
55662-66-3

$$$$