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7-(ethoxymethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione

7-(ethoxymethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name:7-(ethoxymethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
Openeye Name:7-(ethoxymethyl)-3-isobutyl-1-methyl-purine-2,6-dione
CAS Name:7-(ethoxymethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
IUPAC Name:7-(ethoxymethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
Traditional Name:7-(ethoxymethyl)-3-isobutyl-1-methyl-xanthine
Formula: C13H20N4O3
MolecularWeight: 280.3229
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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C


Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C


InChI

InChI=1S/C13H20N4O3/c1-5-20-8-16-7-14-11-10(16)12(18)15(4)13(19)17(11)6-9(2)3/h7,9H,5-6,8H2,1-4H3


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