7-butyl-1,3,8-trimethyl-purine-2,6-dione

Systemtic Name: 7-butyl-1,3,8-trimethyl-purine-2,6-dione Openeye Name: 7-butyl-1,3,8-trimethyl-purine-2,6-dione CAS Name: 7-butyl-1,3,8-trimethylpurine-2,6-dione IUPAC Name: 7-butyl-1,3,8-trimethylpurine-2,6-dione Traditional Name: 7-butyl-1,3,8-trimethyl-xanthine Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C

InChI

InChI=1S/C12H18N4O2/c1-5-6-7-16-8(2)13-10-9(16)11(17)15(4)12(18)14(10)3/h5-7H2,1-4H3