1-(2-ethyl-3-oxidanylidene-butyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(2-ethyl-3-oxidanylidene-butyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(2-ethyl-3-oxo-butyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(2-ethyl-3-oxobutyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(2-ethyl-3-oxobutyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-ethyl-3-keto-butyl)-3,7-dimethyl-xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)C(=O)C

Isomeric SMILES

CCC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)C(=O)C

InChI

InChI=1S/C13H18N4O3/c1-5-9(8(2)18)6-17-12(19)10-11(14-7-15(10)3)16(4)13(17)20/h7,9H,5-6H2,1-4H3