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

Systemtic Name: 7-dodecyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-dodecyl-1,3-dimethyl-8-[(2-methyl-1-piperidyl)methyl]purine-2,6-dione CAS Name: 7-dodecyl-1,3-dimethyl-8-[(2-methyl-1-piperidinyl)methyl]purine-2,6-dione IUPAC Name: 7-dodecyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-lauryl-1,3-dimethyl-8-[(2-methylpiperidino)methyl]xanthine Formula: C26H45N5O2 MolecularWeight: 459.6678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3C

Isomeric SMILES

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3C

InChI

InChI=1S/C26H45N5O2/c1-5-6-7-8-9-10-11-12-13-15-19-31-22(20-30-18-16-14-17-21(30)2)27-24-23(31)25(32)29(4)26(33)28(24)3/h21H,5-20H2,1-4H3