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

Systemtic Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazinyl)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-ethylpiperazino)methyl]-7-heptyl-1,3-dimethyl-xanthine Formula: C21H36N6O2 MolecularWeight: 404.54954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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