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

Systemtic Name: 8-(butylamino)-7-(3,3-dimethyl-2-oxidanylidene-butyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(butylamino)-7-(3,3-dimethyl-2-oxo-butyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylamino)-7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(butylamino)-7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(butylamino)-7-(2-keto-3,3-dimethyl-butyl)-1,3-dimethyl-xanthine Formula: C17H27N5O3 MolecularWeight: 349.42798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O3/c1-7-8-9-18-15-19-13-12(14(24)21(6)16(25)20(13)5)22(15)10-11(23)17(2,3)4/h7-10H2,1-6H3,(H,18,19)