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

Systemtic Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-nonyl-purine-2,6-dione Openeye Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-nonyl-purine-2,6-dione CAS Name: 8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-nonylpurine-2,6-dione Traditional Name: 8-[[4-(4-methoxyphenyl)piperazino]methyl]-1,3-dimethyl-7-nonyl-xanthine Formula: C28H42N6O3 MolecularWeight: 510.67148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H42N6O3/c1-5-6-7-8-9-10-11-16-34-24(29-26-25(34)27(35)31(3)28(36)30(26)2)21-32-17-19-33(20-18-32)22-12-14-23(37-4)15-13-22/h12-15H,5-11,16-21H2,1-4H3