1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione CAS Name: 1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-(2-keto-2-pyrrolidino-ethyl)xanthine Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3/c31-21(27-13-7-8-14-27)17-30-24(32)22-23(26-18-28(22)15-19-9-3-1-4-10-19)29(25(30)33)16-20-11-5-2-6-12-20/h1-6,9-12,18H,7-8,13-17H2