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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(N=CN2CCCCC(=O)C)N(C1=O)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(N=CN2CCCCC(=O)C)N(C1=O)C

InChI

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