3-ethyl-1-(3-oxidanylidenebutyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-ethyl-1-(3-oxidanylidenebutyl)-7-propyl-purine-2,6-dione Openeye Name: 3-ethyl-1-(3-oxobutyl)-7-propyl-purine-2,6-dione CAS Name: 3-ethyl-1-(3-oxobutyl)-7-propylpurine-2,6-dione IUPAC Name: 3-ethyl-1-(3-oxobutyl)-7-propylpurine-2,6-dione Traditional Name: 3-ethyl-1-(3-ketobutyl)-7-propyl-xanthine Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCC(=O)C

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCC(=O)C

InChI

InChI=1S/C14H20N4O3/c1-4-7-16-9-15-12-11(16)13(20)18(8-6-10(3)19)14(21)17(12)5-2/h9H,4-8H2,1-3H3