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1-butyl-3,7-dihydropurine-2,6-dione

1-butyl-3,7-dihydropurine-2,6-dione

Systemtic Name:1-butyl-3,7-dihydropurine-2,6-dione
Openeye Name:1-butyl-3,7-dihydropurine-2,6-dione
CAS Name:1-butyl-3,7-dihydropurine-2,6-dione
IUPAC Name:1-butyl-3,7-dihydropurine-2,6-dione
Traditional Name:1-butyl-7H-xanthine
Formula: C18H24N8O4
MolecularWeight: 416.43436
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)N=CN2.CCCCN1C(=O)C2=C(NC1=O)N=CN2


Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=CN2.CCCCN1C(=O)C2=C(NC1=O)N=CN2


InChI

InChI=1S/2C9H12N4O2/c2*1-2-3-4-13-8(14)6-7(11-5-10-6)12-9(13)15/h2*5H,2-4H2,1H3,(H,10,11)(H,12,15)


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