3-butyl-8-(3-oxidanylidene-3-piperidin-1-yl-propyl)-7-pentyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(3-oxidanylidene-3-piperidin-1-yl-propyl)-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-[3-oxo-3-(1-piperidyl)propyl]-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-oxo-3-(1-piperidinyl)propyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-(3-oxo-3-piperidin-1-ylpropyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-(3-keto-3-piperidino-propyl)xanthine Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCCC3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCCC3

InChI

InChI=1S/C22H35N5O3/c1-3-5-8-16-26-17(11-12-18(28)25-13-9-7-10-14-25)23-20-19(26)21(29)24-22(30)27(20)15-6-4-2/h3-16H2,1-2H3,(H,24,29,30)