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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CCCCC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CCCCC(=O)C

InChI

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