8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-dodecyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-dodecyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(3,5-dimethyl-1-piperidyl)methyl]-7-dodecyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(3,5-dimethyl-1-piperidinyl)methyl]-7-dodecyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-dodecyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(3,5-dimethylpiperidino)methyl]-7-lauryl-1,3-dimethyl-xanthine Formula: C27H47N5O2 MolecularWeight: 473.69438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CC(CC(C3)C)C

Isomeric SMILES

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CC(CC(C3)C)C

InChI

InChI=1S/C27H47N5O2/c1-6-7-8-9-10-11-12-13-14-15-16-32-23(20-31-18-21(2)17-22(3)19-31)28-25-24(32)26(33)30(5)27(34)29(25)4/h21-22H,6-20H2,1-5H3