3-butyl-8-[3-(3,5-dimethylpiperidin-1-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[3-(3,5-dimethylpiperidin-1-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-[3-(3,5-dimethyl-1-piperidyl)-3-oxo-propyl]-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-(3,5-dimethyl-1-piperidinyl)-3-oxopropyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-[3-(3,5-dimethylpiperidino)-3-keto-propyl]xanthine Formula: C24H39N5O3 MolecularWeight: 445.59816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CC(CC(C3)C)C

InChI

InChI=1S/C24H39N5O3/c1-5-7-9-13-28-19(10-11-20(30)27-15-17(3)14-18(4)16-27)25-22-21(28)23(31)26-24(32)29(22)12-8-6-2/h17-18H,5-16H2,1-4H3,(H,26,31,32)