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

Systemtic Name: 7-ethyl-1-[2-oxidanylidene-2-(4-oxidanylidenepiperidin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(4-oxo-1-piperidyl)ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-oxo-2-(4-oxo-1-piperidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-keto-2-(4-ketopiperidino)ethyl]xanthine Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-2-23-14-22-19-18(23)20(29)26(13-17(28)24-10-8-16(27)9-11-24)21(30)25(19)12-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3