7-methyl-1-(5-oxidanylidenehexyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-methyl-1-(5-oxidanylidenehexyl)-3-propyl-purine-2,6-dione Openeye Name: 7-methyl-1-(5-oxohexyl)-3-propyl-purine-2,6-dione CAS Name: 7-methyl-1-(5-oxohexyl)-3-propylpurine-2,6-dione IUPAC Name: 7-methyl-1-(5-oxohexyl)-3-propylpurine-2,6-dione Traditional Name: 1-(5-ketohexyl)-7-methyl-3-propyl-xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3/c1-4-8-18-13-12(17(3)10-16-13)14(21)19(15(18)22)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3