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

Systemtic Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione Openeye Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione CAS Name: 8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione IUPAC Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione Traditional Name: 8-[[4-(4-methoxyphenyl)piperazino]methyl]-1,3-dimethyl-7-octyl-xanthine Formula: C27H40N6O3 MolecularWeight: 496.6449

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H40N6O3/c1-5-6-7-8-9-10-15-33-23(28-25-24(33)26(34)30(3)27(35)29(25)2)20-31-16-18-32(19-17-31)21-11-13-22(36-4)14-12-21/h11-14H,5-10,15-20H2,1-4H3