7-(2-methylpropyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methylpropyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isobutyl-1-[2-oxo-2-(1-piperidyl)ethyl]purine-2,6-dione CAS Name: 7-(2-methylpropyl)-1-[2-oxo-2-(1-piperidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methylpropyl)-1-(2-oxo-2-piperidin-1-ylethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isobutyl-1-(2-keto-2-piperidino-ethyl)xanthine Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCCC4

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCCC4

InChI

InChI=1S/C23H29N5O3/c1-17(2)13-26-16-24-21-20(26)22(30)28(15-19(29)25-11-7-4-8-12-25)23(31)27(21)14-18-9-5-3-6-10-18/h3,5-6,9-10,16-17H,4,7-8,11-15H2,1-2H3