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

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-nonyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(4-methyl-1-piperidyl)methyl]-7-nonyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1-piperidinyl)methyl]-7-nonylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-nonylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(4-methylpiperidino)methyl]-7-nonyl-xanthine Formula: C23H39N5O2 MolecularWeight: 417.58806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C

Isomeric SMILES

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C

InChI

InChI=1S/C23H39N5O2/c1-5-6-7-8-9-10-11-14-28-19(17-27-15-12-18(2)13-16-27)24-21-20(28)22(29)26(4)23(30)25(21)3/h18H,5-17H2,1-4H3