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

Systemtic Name: 7-heptyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-heptyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-heptyl-8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-heptyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-heptyl-8-[[4-(4-methoxyphenyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C26H38N6O3 MolecularWeight: 482.61832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N6O3/c1-5-6-7-8-9-14-32-22(27-24-23(32)25(33)29(3)26(34)28(24)2)19-30-15-17-31(18-16-30)20-10-12-21(35-4)13-11-20/h10-13H,5-9,14-19H2,1-4H3