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

Systemtic Name: 3-methyl-1-(3-oxidanylidenebutyl)-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-1-(3-oxobutyl)-7-propyl-purine-2,6-dione CAS Name: 3-methyl-1-(3-oxobutyl)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-1-(3-oxobutyl)-7-propylpurine-2,6-dione Traditional Name: 1-(3-ketobutyl)-3-methyl-7-propyl-xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3/c1-4-6-16-8-14-11-10(16)12(19)17(7-5-9(2)18)13(20)15(11)3/h8H,4-7H2,1-3H3