Ketcher 04071613112D 1   1.00000     0.00000     0

 13 14  0     0  0            999 V2000
    6.5912  -13.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7253  -14.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592  -13.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592  -12.5275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9932  -14.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9932  -15.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592  -15.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7253  -15.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5912  -15.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1272  -15.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2611  -15.0275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2611  -14.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1272  -13.5275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  3  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  2  1  0     0  0
  8  9  2  0     0  0
  6 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13  5  1  0     0  0
M  END
> <ID>
CHEBI:121196

> <NAME>
reumycin

> <DEFINITION>
A pyrimidotriazine that is 6-methyl-5,6,7,8-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 6.

> <STAR>
3

> <SYNONYM>
rheumygin; rheumycin; reumycin; reumitsin; reumicine; 6-methyl-pyrimido-[5,4-e]-as-triazine-5,7(6H,8H)-dione; 6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione; 1-demethyltoxoflavin

> <IUPAC_NAME>
6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione

> <FORMULA>
C6H5N5O2

> <MASS>
179.136

> <MONOISOTOPIC_MASS>
179.04432

> <CHARGE>
0

> <SMILES>
CN1C(=O)C2=C(NC1=O)N=NC=N2

> <INCHI>
InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)

> <INCHIKEY>
ZLLAXLPOOMLVRF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5016-18-2

> <REAXYS_REGISTRY_NUMBER>
614208

> <CHEMIDPLUS>
5016-18-2

> <LINCS_ACCESSION>
LSM-32639

> <METACYC_ACCESSION>
CPD-21062

> <PUBMED_CITATION>
1656661; 3566230; 4026251; 4062279; 4322358; 4792066; 5907865; 6486750

$$$$