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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C

InChI

InChI=1S/C18H30N6O2/c1-13(2)6-7-24-14(12-23-10-8-20(3)9-11-23)19-16-15(24)17(25)22(5)18(26)21(16)4/h13H,6-12H2,1-5H3