8-(butylamino)-7-ethyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(butylamino)-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(butylamino)-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylamino)-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(butylamino)-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(butylamino)-7-ethyl-1,3-dimethyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNC1=NC2=C(N1CC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H21N5O2/c1-5-7-8-14-12-15-10-9(18(12)6-2)11(19)17(4)13(20)16(10)3/h5-8H2,1-4H3,(H,14,15)