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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]purine-2,6-dione Openeye Name: 7-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]purine-2,6-dione IUPAC Name: 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-benzylpiperidino)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3/c1-23-19-18(20(28)24(2)21(23)29)26(14-22-19)13-17(27)25-10-8-16(9-11-25)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3