CN1C=NC2=C1C(=O)NC(=O)N2
CAS: 552-62-5
الاسم: 7-methyl-3H-purine-2,6-dione
SMILES: CN1C=NC2=C1C(=O)NC(=O)N2

Molecular Processing

Molecular formula
C6H6N4O2
Molecular weight
166.14
Exact mass
166.0491
XLogP
-1.05
TPSA
83.54
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
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
0.167
Molar refractivity
41.96

Supplementary Information

InChIKey: PFWLFWPASULGAN-UHFFFAOYSA-N
مرادفات
7-Methylxanthine552-62-5Heteroxanthine7-Methylxanthin3,7-Dihydro-7-methyl-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-7-methyl-methyl xanthine7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneNSC-7861E9M81NJM6GCHEBI:48991DTXSID60203696RefChem:546893DTXCID90126187209-019-07-methyl xanthine2,6-Dihydroxy-7-methylpurine7-Methyl-1H-purine-2,6(3H,7H)-dioneXanthine, 7-methyl-7-methyl-3,7-dihydro-1H-purine-2,6-dioneNSC 7861MFCD00037979CHEMBL321248CCRIS 5818EINECS 209-019-0Theophylline Impurity 19UNII-E9M81NJM6G7-MethylX7-Methyl-2,6-dioxypurinMETHYLXANTHINE, 7-
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