1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isobutyl-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isobutyl-1-[2-keto-2-(4-methylpiperidino)ethyl]xanthine Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O3/c1-17(2)13-27-16-25-22-21(27)23(31)29(15-20(30)26-11-9-18(3)10-12-26)24(32)28(22)14-19-7-5-4-6-8-19/h4-8,16-18H,9-15H2,1-3H3