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

Systemtic Name: 1-butyl-7-(2-oxidanylidenepropyl)-3-propyl-purine-2,6-dione Openeye Name: 7-acetonyl-1-butyl-3-propyl-purine-2,6-dione CAS Name: 1-butyl-7-(2-oxopropyl)-3-propylpurine-2,6-dione IUPAC Name: 1-butyl-7-(2-oxopropyl)-3-propylpurine-2,6-dione Traditional Name: 7-acetonyl-1-butyl-3-propyl-xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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