3-methyl-7-(2-methylpropyl)-1-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-1-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-1-(5-oxohexyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-1-(5-oxohexyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-1-(5-oxohexyl)purine-2,6-dione Traditional Name: 7-isobutyl-1-(5-ketohexyl)-3-methyl-xanthine Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C

InChI

InChI=1S/C16H24N4O3/c1-11(2)9-19-10-17-14-13(19)15(22)20(16(23)18(14)4)8-6-5-7-12(3)21/h10-11H,5-9H2,1-4H3