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

Systemtic Name: 7-(3-methylbutyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isopentyl-1-[2-oxo-2-(1-piperidyl)ethyl]purine-2,6-dione CAS Name: 7-(3-methylbutyl)-1-[2-oxo-2-(1-piperidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(3-methylbutyl)-1-(2-oxo-2-piperidin-1-ylethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isoamyl-1-(2-keto-2-piperidino-ethyl)xanthine Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCCC4

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCCC4

InChI

InChI=1S/C24H31N5O3/c1-18(2)11-14-27-17-25-22-21(27)23(31)29(16-20(30)26-12-7-4-8-13-26)24(32)28(22)15-19-9-5-3-6-10-19/h3,5-6,9-10,17-18H,4,7-8,11-16H2,1-2H3