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

Systemtic Name: 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-[2-(2,6-dimethylpiperidino)-2-keto-ethyl]-7-ethyl-xanthine Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4C(CCCC4C)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4C(CCCC4C)C

InChI

InChI=1S/C23H29N5O3/c1-4-25-15-24-21-20(25)22(30)27(14-19(29)28-16(2)9-8-10-17(28)3)23(31)26(21)13-18-11-6-5-7-12-18/h5-7,11-12,15-17H,4,8-10,13-14H2,1-3H3