AC1L75KS

9-(4-bromo-2-methyl-5-oxo-2H-pyran-6-yl)-1,3-dimethylpurine-2,6-dione

Also Known As: 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione|9-(4-bromo-2-methyl-5-oxo-2H-pyran-6-yl)-1,3-dimethylpurine-2,6-dione|9-(4-bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione|9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione|9-(4-bromo-6-methyl-3-oxo-6H-pyran-2-yl)-1,3-dimethyl-purine-2,6-dione

Molecular Formula	C13H13BrN4O4
Molecular Weight	368.01202 g/mol
LogP	0.9
Topological Polar Surface Area	84.7 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	368.01202
Monoisotopic Mass	368.01202
Heavy Atoms	22
Complexity	580.0

Chemical Identifiers

CAS Number	88375-92-2
SMILES	CC1C=C(C(=O)C(O1)N2C=NC3=C2N(C(=O)N(C3=O)C)C)Br
InChIKey	YRHNWQFYEBZVGE-UHFFFAOYSA-N