7-(4-oxidanylidenepentan-2-yl)-1,3-di(propan-2-yl)purine-2,6-dione

Systemtic Name: 7-(4-oxidanylidenepentan-2-yl)-1,3-di(propan-2-yl)purine-2,6-dione Openeye Name: 1,3-diisopropyl-7-(1-methyl-3-oxo-butyl)purine-2,6-dione CAS Name: 7-(4-oxopentan-2-yl)-1,3-di(propan-2-yl)purine-2,6-dione IUPAC Name: 7-(4-oxopentan-2-yl)-1,3-di(propan-2-yl)purine-2,6-dione Traditional Name: 1,3-diisopropyl-7-(3-keto-1-methyl-butyl)xanthine Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)N(C1=O)C(C)C)N(C=N2)C(C)CC(=O)C

Isomeric SMILES

CC(C)N1C2=C(C(=O)N(C1=O)C(C)C)N(C=N2)C(C)CC(=O)C

InChI

InChI=1S/C16H24N4O3/c1-9(2)19-14-13(15(22)20(10(3)4)16(19)23)18(8-17-14)11(5)7-12(6)21/h8-11H,7H2,1-6H3