3-butyl-7-methyl-1-pent-4-enyl-purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-1-pent-4-enyl-purine-2,6-dione Openeye Name: 3-butyl-7-methyl-1-pent-4-enyl-purine-2,6-dione CAS Name: 3-butyl-7-methyl-1-pent-4-enylpurine-2,6-dione IUPAC Name: 3-butyl-7-methyl-1-pent-4-enylpurine-2,6-dione Traditional Name: 3-butyl-7-methyl-1-pent-4-enyl-xanthine Formula: C15H22N4O2 MolecularWeight: 290.36078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2/c1-4-6-8-10-19-14(20)12-13(16-11-17(12)3)18(15(19)21)9-7-5-2/h4,11H,1,5-10H2,2-3H3