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

Systemtic Name: 1,3-dimethyl-7-[3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[3-(4-benzyl-1-piperidyl)-3-oxo-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-oxo-3-[4-(phenylmethyl)-1-piperidinyl]propyl]purine-2,6-dione IUPAC Name: 7-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-benzylpiperidino)-3-keto-propyl]-1,3-dimethyl-xanthine Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c1-24-20-19(21(29)25(2)22(24)30)27(15-23-20)13-10-18(28)26-11-8-17(9-12-26)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3