1-iodanyl-7-(3-oxidanylidenebutyl)-3-propan-2-yl-purine-2,6-dione

Systemtic Name: 1-iodanyl-7-(3-oxidanylidenebutyl)-3-propan-2-yl-purine-2,6-dione Openeye Name: 1-iodo-3-isopropyl-7-(3-oxobutyl)purine-2,6-dione CAS Name: 1-iodo-7-(3-oxobutyl)-3-propan-2-ylpurine-2,6-dione IUPAC Name: 1-iodo-7-(3-oxobutyl)-3-propan-2-ylpurine-2,6-dione Traditional Name: 1-iodo-3-isopropyl-7-(3-ketobutyl)xanthine Formula: C12H15IN4O3 MolecularWeight: 390.17697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15IN4O3/c1-7(2)16-10-9(11(19)17(13)12(16)20)15(6-14-10)5-4-8(3)18/h6-7H,4-5H2,1-3H3