3-butyl-1-methyl-7-oct-7-enyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-methyl-7-oct-7-enyl-purine-2,6-dione Openeye Name: 3-butyl-1-methyl-7-oct-7-enyl-purine-2,6-dione CAS Name: 3-butyl-1-methyl-7-oct-7-enylpurine-2,6-dione IUPAC Name: 3-butyl-1-methyl-7-oct-7-enylpurine-2,6-dione Traditional Name: 3-butyl-1-methyl-7-oct-7-enyl-xanthine Formula: C18H28N4O2 MolecularWeight: 332.44052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCC=C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCC=C

InChI

InChI=1S/C18H28N4O2/c1-4-6-8-9-10-11-12-21-14-19-16-15(21)17(23)20(3)18(24)22(16)13-7-5-2/h4,14H,1,5-13H2,2-3H3