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

Systemtic Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octadecyl-purine-2,6-dione Openeye Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octadecyl-purine-2,6-dione CAS Name: 8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-octadecylpurine-2,6-dione IUPAC Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octadecylpurine-2,6-dione Traditional Name: 8-[[4-(4-methoxyphenyl)piperazino]methyl]-1,3-dimethyl-7-stearyl-xanthine Formula: C37H60N6O3 MolecularWeight: 636.9107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C37H60N6O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-43-33(38-35-34(43)36(44)40(3)37(45)39(35)2)30-41-26-28-42(29-27-41)31-21-23-32(46-4)24-22-31/h21-24H,5-20,25-30H2,1-4H3