7-butyl-1-hexanoyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-butyl-1-hexanoyl-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-1-hexanoyl-3-methyl-purine-2,6-dione CAS Name: 7-butyl-3-methyl-1-(1-oxohexyl)purine-2,6-dione IUPAC Name: 7-butyl-1-hexanoyl-3-methylpurine-2,6-dione Traditional Name: 7-butyl-1-caproyl-3-methyl-xanthine Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=O)C2=C(N=CN2CCCC)N(C1=O)C

Isomeric SMILES

CCCCCC(=O)N1C(=O)C2=C(N=CN2CCCC)N(C1=O)C

InChI

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