3-methyl-7-(2-phenoxyethyl)-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-phenoxyethyl)-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-phenoxyethyl)-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCOC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCOC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O3/c1-29-23-22(24(32)28-26(29)33)31(16-17-34-21-10-6-3-7-11-21)25(27-23)30-14-12-20(13-15-30)18-19-8-4-2-5-9-19/h2-11,20H,12-18H2,1H3,(H,28,32,33)