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

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-octyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(4-methyl-1-piperidyl)methyl]-7-octyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1-piperidinyl)methyl]-7-octylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-octylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(4-methylpiperidino)methyl]-7-octyl-xanthine Formula: C22H37N5O2 MolecularWeight: 403.56148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C

Isomeric SMILES

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C

InChI

InChI=1S/C22H37N5O2/c1-5-6-7-8-9-10-13-27-18(16-26-14-11-17(2)12-15-26)23-20-19(27)21(28)25(4)22(29)24(20)3/h17H,5-16H2,1-4H3