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

Systemtic Name: 1,3-dibutyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-1,3-dibutyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-1,3-dibutyl-xanthine Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CC(=O)C

InChI

InChI=1S/C16H24N4O3/c1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2/h11H,4-10H2,1-3H3