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

Systemtic Name: 7-heptyl-1,3-dimethyl-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-heptyl-1,3-dimethyl-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-benzylpiperazino)methyl]-7-heptyl-1,3-dimethyl-xanthine Formula: C26H38N6O2 MolecularWeight: 466.61892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H38N6O2/c1-4-5-6-7-11-14-32-22(27-24-23(32)25(33)29(3)26(34)28(24)2)20-31-17-15-30(16-18-31)19-21-12-9-8-10-13-21/h8-10,12-13H,4-7,11,14-20H2,1-3H3