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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-7-ethyl-1,3-dimethyl-xanthine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H27N5O2/c1-4-26-17-18(23(2)21(28)24(3)19(17)27)22-20(26)25-12-10-16(11-13-25)14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3