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

Systemtic Name: 3-methyl-1-(6-oxidanylideneheptyl)-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-1-(6-oxoheptyl)-7-propyl-purine-2,6-dione CAS Name: 3-methyl-1-(6-oxoheptyl)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-1-(6-oxoheptyl)-7-propylpurine-2,6-dione Traditional Name: 1-(6-ketoheptyl)-3-methyl-7-propyl-xanthine Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3/c1-4-9-19-11-17-14-13(19)15(22)20(16(23)18(14)3)10-7-5-6-8-12(2)21/h11H,4-10H2,1-3H3