butyl butanoate; 3,7-dihydropurine-2,6-dione

Systemtic Name: butyl butanoate; 3,7-dihydropurine-2,6-dione Openeye Name: butyl butanoate; 3,7-dihydropurine-2,6-dione CAS Name: butanoic acid butyl ester; 3,7-dihydropurine-2,6-dione IUPAC Name: butyl butanoate; 3,7-dihydropurine-2,6-dione Traditional Name: butyric acid butyl ester; xanthine Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC.C1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

CCCCOC(=O)CCC.C1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C8H16O2.C5H4N4O2/c1-3-5-7-10-8(9)6-4-2;10-4-2-3(7-1-6-2)8-5(11)9-4/h3-7H2,1-2H3;1H,(H3,6,7,8,9,10,11)