7-hexyl-1,3-dimethyl-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione

Systemtic Name: 7-hexyl-1,3-dimethyl-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-hexyl-1,3-dimethyl-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-benzylpiperazino)methyl]-7-hexyl-1,3-dimethyl-xanthine Formula: C25H36N6O2 MolecularWeight: 452.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H36N6O2/c1-4-5-6-10-13-31-21(26-23-22(31)24(32)28(3)25(33)27(23)2)19-30-16-14-29(15-17-30)18-20-11-8-7-9-12-20/h7-9,11-12H,4-6,10,13-19H2,1-3H3