1-(2-hydroxyethyl)-3,7-bis(phenylmethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 1-(2-hydroxyethyl)-3,7-bis(phenylmethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-(2-hydroxyethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-(2-hydroxyethyl)-3,7-bis(phenylmethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-(2-hydroxyethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3,7-dibenzyl-1-(2-hydroxyethyl)-8-piperazino-xanthine Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3CC5=CC=CC=C5)CCO

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3CC5=CC=CC=C5)CCO

InChI

InChI=1S/C25H28N6O3/c32-16-15-29-23(33)21-22(31(25(29)34)18-20-9-5-2-6-10-20)27-24(28-13-11-26-12-14-28)30(21)17-19-7-3-1-4-8-19/h1-10,26,32H,11-18H2