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

Systemtic Name: 7-ethyl-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-7-ethyl-purine-2,6-dione CAS Name: 7-ethyl-1-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-[2-(4-benzylpiperidino)-2-keto-ethyl]-7-ethyl-xanthine Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O3/c1-2-30-20-29-26-25(30)27(35)33(28(36)32(26)18-23-11-7-4-8-12-23)19-24(34)31-15-13-22(14-16-31)17-21-9-5-3-6-10-21/h3-12,20,22H,2,13-19H2,1H3