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

Systemtic Name: 7-ethyl-1-[2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-keto-2-[4-(2-ketopyrrolidino)phenyl]ethyl]xanthine Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)N5CCCC5=O

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)N5CCCC5=O

InChI

InChI=1S/C26H25N5O4/c1-2-28-17-27-24-23(28)25(34)31(26(35)30(24)15-18-7-4-3-5-8-18)16-21(32)19-10-12-20(13-11-19)29-14-6-9-22(29)33/h3-5,7-8,10-13,17H,2,6,9,14-16H2,1H3