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

Systemtic Name: 1-hexanoyl-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-hexanoyl-3-methyl-7-propyl-purine-2,6-dione CAS Name: 3-methyl-1-(1-oxohexyl)-7-propylpurine-2,6-dione IUPAC Name: 1-hexanoyl-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-caproyl-3-methyl-7-propyl-xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=O)C2=C(N=CN2CCC)N(C1=O)C

Isomeric SMILES

CCCCCC(=O)N1C(=O)C2=C(N=CN2CCC)N(C1=O)C

InChI

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