butanoic acid; 8-methyl-7-propyl-3H-purine-2,6-dione

Systemtic Name: butanoic acid; 8-methyl-7-propyl-3H-purine-2,6-dione Openeye Name: butyric acid; 8-methyl-7-propyl-3H-purine-2,6-dione CAS Name: butanoic acid; 8-methyl-7-propyl-3H-purine-2,6-dione IUPAC Name: butanoic acid; 8-methyl-7-propyl-3H-purine-2,6-dione Traditional Name: butyric acid; 8-methyl-7-propyl-xanthine Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.CCCN1C(=NC2=C1C(=O)NC(=O)N2)C

Isomeric SMILES

CCCC(=O)O.CCCN1C(=NC2=C1C(=O)NC(=O)N2)C

InChI

InChI=1S/C9H12N4O2.C4H8O2/c1-3-4-13-5(2)10-7-6(13)8(14)12-9(15)11-7;1-2-3-4(5)6/h3-4H2,1-2H3,(H2,11,12,14,15);2-3H2,1H3,(H,5,6)