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

Systemtic Name: 3-butyl-1-ethyl-7-pent-4-enyl-purine-2,6-dione Openeye Name: 3-butyl-1-ethyl-7-pent-4-enyl-purine-2,6-dione CAS Name: 3-butyl-1-ethyl-7-pent-4-enylpurine-2,6-dione IUPAC Name: 3-butyl-1-ethyl-7-pent-4-enylpurine-2,6-dione Traditional Name: 3-butyl-1-ethyl-7-pent-4-enyl-xanthine Formula: C16H24N4O2 MolecularWeight: 304.38736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O2/c1-4-7-9-10-18-12-17-14-13(18)15(21)19(6-3)16(22)20(14)11-8-5-2/h4,12H,1,5-11H2,2-3H3