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

Systemtic Name: 3-butyl-8-[3-(3,5-dimethylpiperidin-1-yl)-3-oxidanylidene-propyl]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-butyl-8-[3-(3,5-dimethyl-1-piperidyl)-3-oxo-propyl]-7-isobutyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-(3,5-dimethyl-1-piperidinyl)-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 3-butyl-8-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-butyl-8-[3-(3,5-dimethylpiperidino)-3-keto-propyl]-7-isobutyl-xanthine Formula: C23H37N5O3 MolecularWeight: 431.57158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CC(CC(C3)C)C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CC(CC(C3)C)C)CC(C)C

InChI

InChI=1S/C23H37N5O3/c1-6-7-10-27-21-20(22(30)25-23(27)31)28(12-15(2)3)18(24-21)8-9-19(29)26-13-16(4)11-17(5)14-26/h15-17H,6-14H2,1-5H3,(H,25,30,31)