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7-(2,2-dimethylpropyl)-3H-purine-2,6-dione

7-(2,2-dimethylpropyl)-3H-purine-2,6-dione

Systemtic Name:7-(2,2-dimethylpropyl)-3H-purine-2,6-dione
Openeye Name:7-(2,2-dimethylpropyl)-3H-purine-2,6-dione
CAS Name:7-(2,2-dimethylpropyl)-3H-purine-2,6-dione
IUPAC Name:7-(2,2-dimethylpropyl)-3H-purine-2,6-dione
Traditional Name:7-neopentylxanthine
Formula: C10H14N4O2
MolecularWeight: 222.24376
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=NC2=C1C(=O)NC(=O)N2


Isomeric SMILES

CC(C)(C)CN1C=NC2=C1C(=O)NC(=O)N2


InChI

InChI=1S/C10H14N4O2/c1-10(2,3)4-14-5-11-7-6(14)8(15)13-9(16)12-7/h5H,4H2,1-3H3,(H2,12,13,15,16)


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