1-tert-butyl-3,7-dihydropurine-2,6-dione; propanoic acid

Systemtic Name: 1-tert-butyl-3,7-dihydropurine-2,6-dione; propanoic acid Openeye Name: 1-tert-butyl-3,7-dihydropurine-2,6-dione; propionic acid CAS Name: 1-tert-butyl-3,7-dihydropurine-2,6-dione; propanoic acid IUPAC Name: 1-tert-butyl-3,7-dihydropurine-2,6-dione; propanoic acid Traditional Name: 1-tert-butyl-7H-xanthine; propionic acid Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.CC(C)(C)N1C(=O)C2=C(NC1=O)N=CN2

Isomeric SMILES

CCC(=O)O.CC(C)(C)N1C(=O)C2=C(NC1=O)N=CN2

InChI

InChI=1S/C9H12N4O2.C3H6O2/c1-9(2,3)13-7(14)5-6(11-4-10-5)12-8(13)15;1-2-3(4)5/h4H,1-3H3,(H,10,11)(H,12,15);2H2,1H3,(H,4,5)