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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)C

InChI

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