3-methyl-1-(3-methyl-4-oxidanylidene-pentyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-1-(3-methyl-4-oxidanylidene-pentyl)-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-1-(3-methyl-4-oxo-pentyl)-7-propyl-purine-2,6-dione CAS Name: 3-methyl-1-(3-methyl-4-oxopentyl)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-1-(3-methyl-4-oxopentyl)-7-propylpurine-2,6-dione Traditional Name: 1-(4-keto-3-methyl-pentyl)-3-methyl-7-propyl-xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(C)C(=O)C

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(C)C(=O)C

InChI

InChI=1S/C15H22N4O3/c1-5-7-18-9-16-13-12(18)14(21)19(15(22)17(13)4)8-6-10(2)11(3)20/h9-10H,5-8H2,1-4H3