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

Systemtic Name: 1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione CAS Name: 1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]xanthine Formula: C29H28N8O3 MolecularWeight: 536.58442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=C(N=CN4CC5=CC=CC=C5)N(C3=O)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=C(N=CN4CC5=CC=CC=C5)N(C3=O)CC6=CC=CC=C6

InChI

InChI=1S/C29H28N8O3/c38-24(33-14-16-34(17-15-33)28-30-12-7-13-31-28)20-37-27(39)25-26(32-21-35(25)18-22-8-3-1-4-9-22)36(29(37)40)19-23-10-5-2-6-11-23/h1-13,21H,14-20H2