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

Systemtic Name: 3-butyl-8-(hydroxymethyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-(hydroxymethyl)-1-[2-oxo-2-(1-piperidyl)ethyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-(hydroxymethyl)-1-[2-oxo-2-(1-piperidinyl)ethyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-(hydroxymethyl)-1-(2-oxo-2-piperidin-1-ylethyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-(2-keto-2-piperidino-ethyl)-8-methylol-7-propyl-xanthine Formula: C20H31N5O4 MolecularWeight: 405.49124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N3CCCCC3)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N3CCCCC3)N(C(=N2)CO)CCC

InChI

InChI=1S/C20H31N5O4/c1-3-5-12-24-18-17(23(9-4-2)15(14-26)21-18)19(28)25(20(24)29)13-16(27)22-10-7-6-8-11-22/h26H,3-14H2,1-2H3