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

Systemtic Name: 3-ethyl-7-methyl-1-(6-oxidanylideneheptyl)purine-2,6-dione Openeye Name: 3-ethyl-7-methyl-1-(6-oxoheptyl)purine-2,6-dione CAS Name: 3-ethyl-7-methyl-1-(6-oxoheptyl)purine-2,6-dione IUPAC Name: 3-ethyl-7-methyl-1-(6-oxoheptyl)purine-2,6-dione Traditional Name: 3-ethyl-1-(6-ketoheptyl)-7-methyl-xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCCC(=O)C)N(C=N2)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCCC(=O)C)N(C=N2)C

InChI

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