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

Systemtic Name: 7-butyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-[(4-ethyl-1-piperazinyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-[(4-ethylpiperazino)methyl]-1,3-dimethyl-xanthine Formula: C18H30N6O2 MolecularWeight: 362.4698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC

InChI

InChI=1S/C18H30N6O2/c1-5-7-8-24-14(13-23-11-9-22(6-2)10-12-23)19-16-15(24)17(25)21(4)18(26)20(16)3/h5-13H2,1-4H3