Molecule ID: 5351216

IUPAC Name: 6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

Description: The molecule is 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. It has a role as an antineoplastic agent, an antimicrobial agent and a bacterial metabolite. It is a pyrimidotriazine and a carbonyl compound. It derives from a 1,6-didemethyltoxoflavin.

SMILES: Cn1c(O)nc2nncnc2c1=O

SELFIES: [C][N][C][Branch1][C][O][=N][C][=N][N][=C][N][=C][Ring1][=Branch1][C][Ring1][O][=O]

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)

Molecular Properties:
- Polar Surface Area: 88.1 Ų
- LogP: -1.4