1-but-3-enyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-but-3-enyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-but-3-enyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-but-3-enyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-but-3-enyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-but-3-enyl-3,7-dimethyl-xanthine Formula: C11H14N4O2 MolecularWeight: 234.25446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC=C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC=C

InChI

InChI=1S/C11H14N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h4,7H,1,5-6H2,2-3H3