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

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-octyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-octyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1-piperazinyl)methyl]-7-octylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-octylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(4-methylpiperazino)methyl]-7-octyl-xanthine Formula: C21H36N6O2 MolecularWeight: 404.54954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N6O2/c1-5-6-7-8-9-10-11-27-17(16-26-14-12-23(2)13-15-26)22-19-18(27)20(28)25(4)21(29)24(19)3/h5-16H2,1-4H3