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

Systemtic Name: 7-hexyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-hexyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 7-hexyl-1,3-dimethyl-8-[(4-methyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 7-hexyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-hexyl-1,3-dimethyl-8-[(4-methylpiperazino)methyl]xanthine Formula: C19H32N6O2 MolecularWeight: 376.49638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C

Isomeric SMILES

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C

InChI

InChI=1S/C19H32N6O2/c1-5-6-7-8-9-25-15(14-24-12-10-21(2)11-13-24)20-17-16(25)18(26)23(4)19(27)22(17)3/h5-14H2,1-4H3