7-butyl-8-(hexylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-(hexylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-(hexylamino)-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-(hexylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-(hexylamino)-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-(hexylamino)-3-methyl-xanthine Formula: C16H27N5O2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H27N5O2/c1-4-6-8-9-10-17-15-18-13-12(21(15)11-7-5-2)14(22)19-16(23)20(13)3/h4-11H2,1-3H3,(H,17,18)(H,19,22,23)