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

Systemtic Name: 1-butyl-7-(2-oxidanylidenepropyl)-3H-purine-2,6-dione Openeye Name: 7-acetonyl-1-butyl-3H-purine-2,6-dione CAS Name: 1-butyl-7-(2-oxopropyl)-3H-purine-2,6-dione IUPAC Name: 1-butyl-7-(2-oxopropyl)-3H-purine-2,6-dione Traditional Name: 7-acetonyl-1-butyl-xanthine Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)N=CN2CC(=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=CN2CC(=O)C

InChI

InChI=1S/C12H16N4O3/c1-3-4-5-16-11(18)9-10(14-12(16)19)13-7-15(9)6-8(2)17/h7H,3-6H2,1-2H3,(H,14,19)