7-butyl-1-(5-oxidanylidenehexyl)-3H-purine-2,6-dione

Systemtic Name: 7-butyl-1-(5-oxidanylidenehexyl)-3H-purine-2,6-dione Openeye Name: 7-butyl-1-(5-oxohexyl)-3H-purine-2,6-dione CAS Name: 7-butyl-1-(5-oxohexyl)-3H-purine-2,6-dione IUPAC Name: 7-butyl-1-(5-oxohexyl)-3H-purine-2,6-dione Traditional Name: 7-butyl-1-(5-ketohexyl)xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2)CCCCC(=O)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2)CCCCC(=O)C

InChI

InChI=1S/C15H22N4O3/c1-3-4-8-18-10-16-13-12(18)14(21)19(15(22)17-13)9-6-5-7-11(2)20/h10H,3-9H2,1-2H3,(H,17,22)