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

Systemtic Name: 3,7-bis(phenylmethyl)-8-piperazin-1-yl-1-propyl-purine-2,6-dione Openeye Name: 3,7-dibenzyl-8-piperazin-1-yl-1-propyl-purine-2,6-dione CAS Name: 3,7-bis(phenylmethyl)-8-(1-piperazinyl)-1-propylpurine-2,6-dione IUPAC Name: 3,7-dibenzyl-8-piperazin-1-yl-1-propylpurine-2,6-dione Traditional Name: 3,7-dibenzyl-8-piperazino-1-propyl-xanthine Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCNCC4)N(C1=O)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCNCC4)N(C1=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O2/c1-2-15-30-24(33)22-23(32(26(30)34)19-21-11-7-4-8-12-21)28-25(29-16-13-27-14-17-29)31(22)18-20-9-5-3-6-10-20/h3-12,27H,2,13-19H2,1H3