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

Systemtic Name: 1-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]purine-2,6-dione CAS Name: 1-[2-oxo-2-(3-oxo-1-piperazinyl)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-[2-keto-2-(3-ketopiperazino)ethyl]xanthine Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N6O4/c32-20-15-28(12-11-26-20)21(33)16-31-24(34)22-23(27-17-29(22)13-18-7-3-1-4-8-18)30(25(31)35)14-19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,26,32)