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

Systemtic Name: 7-(3-oxidanylidenebutan-2-yl)-1,3-di(propan-2-yl)purine-2,6-dione Openeye Name: 1,3-diisopropyl-7-(1-methyl-2-oxo-propyl)purine-2,6-dione CAS Name: 7-(3-oxobutan-2-yl)-1,3-di(propan-2-yl)purine-2,6-dione IUPAC Name: 7-(3-oxobutan-2-yl)-1,3-di(propan-2-yl)purine-2,6-dione Traditional Name: 1,3-diisopropyl-7-(2-keto-1-methyl-propyl)xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3/c1-8(2)18-13-12(14(21)19(9(3)4)15(18)22)17(7-16-13)10(5)11(6)20/h7-10H,1-6H3