CAS: 83-67-0
이름: 3,7-dimethylpurine-2,6-dione
SMILES:
CN1C=NC2=C1C(=O)NC(=O)N2CMolecular Processing
Molecular formula
C7H8N4O2
Molecular weight
180.17
Exact mass
180.0647
XLogP
-1.04
TPSA
72.68
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
46.58
Supplementary Information
InChIKey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
동의어
theobromine83-67-03,7-DimethylxanthineDiurobromineTheosalvoseSantheoseTeobrominTheostene3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dioneThesal3,7-dimethylpurine-2,6-dioneXantheose3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dioneFEMA No. 3591Theobrominum1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-SC 15090DTXSID90261323,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneNSC-5039OBD445WZ5PSC-15090CHEBI:28946DTXCID506132RefChem:6504201-494-2ThesodateTheobrominXanthine, 3,7-dimethyl-2,6-Dihydroxy-3,7-dimethylpurine
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