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

Systemtic Name: 3,7-dihydropurine-2,6-dione; propyl butanoate Openeye Name: 3,7-dihydropurine-2,6-dione; propyl butanoate CAS Name: butanoic acid propyl ester; 3,7-dihydropurine-2,6-dione IUPAC Name: 3,7-dihydropurine-2,6-dione; propyl butanoate Traditional Name: butyric acid propyl ester; xanthine Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCC.C1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

CCCC(=O)OCCC.C1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C7H14O2.C5H4N4O2/c1-3-5-7(8)9-6-4-2;10-4-2-3(7-1-6-2)8-5(11)9-4/h3-6H2,1-2H3;1H,(H3,6,7,8,9,10,11)