1-butyl-3-ethyl-7-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 1-butyl-3-ethyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-1-butyl-3-ethyl-purine-2,6-dione CAS Name: 1-butyl-3-ethyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1-butyl-3-ethyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-1-butyl-3-ethyl-xanthine Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)CC

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)CC

InChI

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