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Structure
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| Relationships |
Total Number of functionally related protein(s) :
688
Total Number of Articles : 1015
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| PubChem |
3758
|
| Molecular Formula |
C10H14N4O2 |
| SMILES |
CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| InChI |
InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12) |
| synonyms |
- 3-Isobutyl-1-methylxanthine
- 28822-58-4
- isobutylmethylxanthine
- Methylisobutylxanthine
- 1-METHYL-3-ISOBUTYLXANTHINE
- 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-
- Xanthine, 3-isobutyl-1-methyl-
- 3-Isobutyl-1-methyxanthine
- 3-isobutyl-1-methyl-7H-xanthine
- Methyl-isobutylxanthine
- 3-Isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione
- 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
- 3-Isobutyl 1-methylxanthine
- CCRIS 4290
- NSC 165960
- 2-Acetoxy-Benzoic Acid
- CHEBI:34795
- 3-Isobutyl-Methylxanthine
- EINECS 249-259-3
- 3,7-Dihydro-3-isobutyl-1-methyl-1H-purine-2,6-dione
- 3-Isobutyl-1-methyl-xanthine
- TBT296U68M
- 1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
- NSC-165960
- SC 2964
- DTXSID0040549
- 3-ISOBUTHYL-1-METHYLXANTHINE
- SC-2964
- Isobutyltheophylline
- 3 Isobutyl 1 methylxanthine
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| Properties |
| Property |
Value |
| MW |
222.24 g/mol |
| HBD |
1 |
| HBA |
3 |
| Rotatable Bond Count |
2 |
| Exact Mass |
222.11167570 g/mol |
| Monoisotopic Mass |
222.11167570 g/mol |
| Heavy Atom Count |
16 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
318 |
| xlogp |
1.5 |
| Topological Polar Surface Area |
69.3 |
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