3,8-dibutyl-7-(3-oxidanylidenebutyl)purine-2,6-dione

Systemtic Name: 3,8-dibutyl-7-(3-oxidanylidenebutyl)purine-2,6-dione Openeye Name: 3,8-dibutyl-7-(3-oxobutyl)purine-2,6-dione CAS Name: 3,8-dibutyl-7-(3-oxobutyl)purine-2,6-dione IUPAC Name: 3,8-dibutyl-7-(3-oxobutyl)purine-2,6-dione Traditional Name: 3,8-dibutyl-7-(3-ketobutyl)xanthine Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CCC(=O)C)C(=O)NC(=O)N2CCCC

Isomeric SMILES

CCCCC1=NC2=C(N1CCC(=O)C)C(=O)NC(=O)N2CCCC

InChI

InChI=1S/C17H26N4O3/c1-4-6-8-13-18-15-14(20(13)11-9-12(3)22)16(23)19-17(24)21(15)10-7-5-2/h4-11H2,1-3H3,(H,19,23,24)