8-ethenyl-1,3-dimethyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-ethenyl-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-propyl-8-vinyl-purine-2,6-dione CAS Name: 8-ethenyl-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-ethenyl-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-propyl-8-vinyl-xanthine Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=C

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=C

InChI

InChI=1S/C12H16N4O2/c1-5-7-16-8(6-2)13-10-9(16)11(17)15(4)12(18)14(10)3/h6H,2,5,7H2,1,3-4H3