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7-butyl-3-methyl-purine-2,6-dione

7-butyl-3-methyl-purine-2,6-dione

Systemtic Name:7-butyl-3-methyl-purine-2,6-dione
Openeye Name:7-butyl-3-methyl-purine-2,6-dione
CAS Name:7-butyl-3-methylpurine-2,6-dione
IUPAC Name:7-butyl-3-methylpurine-2,6-dione
Traditional Name:7-butyl-3-methyl-xanthine
Formula: C10H14N4O2
MolecularWeight: 222.24376
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)NC(=O)N2C


Isomeric SMILES

CCCCN1C=NC2=C1C(=O)NC(=O)N2C


InChI

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


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