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1,3,7-triethyl-8-methyl-purine-2,6-dione

1,3,7-triethyl-8-methyl-purine-2,6-dione

Systemtic Name:1,3,7-triethyl-8-methyl-purine-2,6-dione
Openeye Name:1,3,7-triethyl-8-methyl-purine-2,6-dione
CAS Name:1,3,7-triethyl-8-methylpurine-2,6-dione
IUPAC Name:1,3,7-triethyl-8-methylpurine-2,6-dione
Traditional Name:1,3,7-triethyl-8-methyl-xanthine
Formula: C12H18N4O2
MolecularWeight: 250.29692
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2CC)CC)C


Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2CC)CC)C


InChI

InChI=1S/C12H18N4O2/c1-5-14-8(4)13-10-9(14)11(17)16(7-3)12(18)15(10)6-2/h5-7H2,1-4H3


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