8-ethyl-7-heptan-4-yl-1-methyl-3H-purine-2,6-dione

Systemtic Name: 8-ethyl-7-heptan-4-yl-1-methyl-3H-purine-2,6-dione Openeye Name: 8-ethyl-1-methyl-7-(1-propylbutyl)-3H-purine-2,6-dione CAS Name: 8-ethyl-7-heptan-4-yl-1-methyl-3H-purine-2,6-dione IUPAC Name: 8-ethyl-7-heptan-4-yl-1-methyl-3H-purine-2,6-dione Traditional Name: 8-ethyl-1-methyl-7-(1-propylbutyl)xanthine Formula: C15H24N4O2 MolecularWeight: 292.37666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C(=NC2=C1C(=O)N(C(=O)N2)C)CC

Isomeric SMILES

CCCC(CCC)N1C(=NC2=C1C(=O)N(C(=O)N2)C)CC

InChI

InChI=1S/C15H24N4O2/c1-5-8-10(9-6-2)19-11(7-3)16-13-12(19)14(20)18(4)15(21)17-13/h10H,5-9H2,1-4H3,(H,17,21)