3-butyl-7-(4-oxidanylidenepentyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-(4-oxidanylidenepentyl)purine-2,6-dione Openeye Name: 3-butyl-7-(4-oxopentyl)purine-2,6-dione CAS Name: 3-butyl-7-(4-oxopentyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(4-oxopentyl)purine-2,6-dione Traditional Name: 3-butyl-7-(4-ketopentyl)xanthine Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3/c1-3-4-8-18-12-11(13(20)16-14(18)21)17(9-15-12)7-5-6-10(2)19/h9H,3-8H2,1-2H3,(H,16,20,21)