1-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-(2-hydroxy-3-pyrrolidin-1-yl-propyl)purine-2,6-dione CAS Name: 1-[2-hydroxy-3-(1-pyrrolidinyl)propyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-(2-hydroxy-3-pyrrolidino-propyl)xanthine Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c32-22(17-28-13-7-8-14-28)18-31-25(33)23-24(27-19-29(23)15-20-9-3-1-4-10-20)30(26(31)34)16-21-11-5-2-6-12-21/h1-6,9-12,19,22,32H,7-8,13-18H2