1,3-dimethyl-7-[1-[4-(phenylmethyl)piperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[1-[4-(phenylmethyl)piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 7-[1-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[1-[4-(phenylmethyl)-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 7-[1-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[1-(4-benzylpiperazino)ethyl]-1,3-dimethyl-xanthine Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN(CC1)CC2=CC=CC=C2)N3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(N1CCN(CC1)CC2=CC=CC=C2)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H26N6O2/c1-15(25-11-9-24(10-12-25)13-16-7-5-4-6-8-16)26-14-21-18-17(26)19(27)23(3)20(28)22(18)2/h4-8,14-15H,9-13H2,1-3H3