3,7-dibutyl-8-[3-(4-methylpiperidin-1-yl)-3-oxidanylidene-propyl]purine-2,6-dione

Systemtic Name: 3,7-dibutyl-8-[3-(4-methylpiperidin-1-yl)-3-oxidanylidene-propyl]purine-2,6-dione Openeye Name: 3,7-dibutyl-8-[3-(4-methyl-1-piperidyl)-3-oxo-propyl]purine-2,6-dione CAS Name: 3,7-dibutyl-8-[3-(4-methyl-1-piperidinyl)-3-oxopropyl]purine-2,6-dione IUPAC Name: 3,7-dibutyl-8-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]purine-2,6-dione Traditional Name: 3,7-dibutyl-8-[3-keto-3-(4-methylpiperidino)propyl]xanthine Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCC(CC3)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCC(CC3)C

InChI

InChI=1S/C22H35N5O3/c1-4-6-12-26-17(8-9-18(28)25-14-10-16(3)11-15-25)23-20-19(26)21(29)24-22(30)27(20)13-7-5-2/h16H,4-15H2,1-3H3,(H,24,29,30)