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

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-pentyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-pentyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1-piperazinyl)methyl]-7-pentylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-1,3-dimethyl-8-[(4-methylpiperazino)methyl]xanthine Formula: C18H30N6O2 MolecularWeight: 362.4698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C

InChI

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