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9-butyl-1-methyl-3H-purine-2,6-dione

9-butyl-1-methyl-3H-purine-2,6-dione

Systemtic Name:9-butyl-1-methyl-3H-purine-2,6-dione
Openeye Name:9-butyl-1-methyl-3H-purine-2,6-dione
CAS Name:9-butyl-1-methyl-3H-purine-2,6-dione
IUPAC Name:9-butyl-1-methyl-3H-purine-2,6-dione
Traditional Name:9-butyl-1-methyl-xanthine
Formula: C10H14N4O2
MolecularWeight: 222.24376
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1NC(=O)N(C2=O)C


Isomeric SMILES

CCCCN1C=NC2=C1NC(=O)N(C2=O)C


InChI

InChI=1S/C10H14N4O2/c1-3-4-5-14-6-11-7-8(14)12-10(16)13(2)9(7)15/h6H,3-5H2,1-2H3,(H,12,16)


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